Showing NP-Card for Trichorzin PA IX (NP0023665)
Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 08:43:37 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:42:22 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0023665 | ||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Trichorzin PA IX | ||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||
Description | Trichorzin PA IX belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. Trichorzin PA IX is found in Trichoderma harzianum. It was first documented in 1998 (PMID: 9544938). Based on a literature review very few articles have been published on Trichorzin PA IX. | ||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0023665 (Trichorzin PA IX)Mrv1652307042108203D 269270 0 0 0 0 999 V2000 3.3738 -1.4281 3.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4843 -0.4165 4.0708 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2256 -0.1330 3.3058 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4819 0.9255 4.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4803 0.4962 2.0307 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 1.8201 1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1449 2.5219 2.9151 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2412 2.4174 0.5828 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8358 1.4779 -0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7106 3.7439 0.3582 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3084 3.9728 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 2.9915 0.3243 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2986 5.2692 -0.1313 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5844 6.0464 -1.1212 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7900 6.3755 -0.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5331 5.0135 -0.8731 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2996 5.9033 -1.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0896 7.1299 -1.7049 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5367 5.4239 -2.3178 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7274 3.9349 -2.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7434 6.0852 -1.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4804 5.8849 -3.6513 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 7.1852 -4.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 7.3592 -5.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7486 8.1790 -3.4414 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 -1.2259 3.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6396 -0.9898 2.2598 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1652 -2.4719 3.8153 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9361 -3.3854 3.4555 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7471 -4.6723 4.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9077 -3.7037 2.0255 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4424 -4.3415 1.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1978 -2.7742 3.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 -2.4684 5.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2956 -2.5155 3.1616 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 -1.8794 3.7244 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4479 -1.5729 2.6517 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7554 -0.9330 2.9348 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6543 -1.6853 3.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9383 -1.1362 4.1411 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3106 -2.7641 4.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 -0.6221 4.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8551 -0.3026 4.2544 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9142 0.1083 5.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4774 1.2506 6.0172 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5051 0.6786 7.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6117 1.8943 6.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 2.2955 5.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4899 2.2277 4.1036 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 3.4495 6.0441 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4544 4.5047 5.4239 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0819 4.4896 6.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9914 3.9577 7.1959 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 5.0331 5.3897 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3848 5.0656 5.8254 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4323 6.0097 7.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8939 3.7504 6.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 5.6605 4.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9034 6.7610 4.2757 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3725 4.9839 4.2083 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1219 5.5710 3.1081 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0025 4.5821 2.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 5.0496 1.3112 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2906 3.2900 2.7821 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9802 2.2174 2.1365 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9134 1.5602 3.0802 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7154 0.4106 2.5948 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5575 -0.0721 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7611 0.7604 1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 2.7887 0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5445 3.6925 1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3941 2.2353 -0.3211 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8255 2.4513 -1.6263 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4463 3.9004 -1.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8075 1.5156 -2.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6141 2.7243 -2.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9271 3.6843 -1.8984 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 2.1877 -3.6381 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9817 2.7713 -4.3788 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3178 2.6607 -5.8239 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2720 1.4920 -5.8378 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3428 0.9605 -4.4510 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2190 0.0620 -4.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 0.2972 -2.8767 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5737 -0.9522 -4.7843 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4638 -1.6246 -4.1004 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5487 -3.1139 -4.1269 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7715 -3.6879 -3.4959 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6554 -5.2102 -3.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8159 -3.3776 -1.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 -1.1784 -4.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9213 -1.1457 -5.8687 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1157 -0.7594 -3.7518 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1653 -0.3219 -4.2128 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0980 0.7213 -5.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7322 0.4737 -2.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1264 -1.3768 -4.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0284 -2.3973 -3.6391 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1632 -1.4195 -5.3732 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0619 -2.5776 -5.3775 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8468 -2.6995 -4.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0304 -2.4660 -6.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2957 -3.8624 -5.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 -3.9072 -6.5741 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4654 -4.9366 -4.7181 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7927 -6.2211 -4.8518 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3167 -6.1509 -4.9227 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6535 -7.3977 -5.3638 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9004 -8.6985 -4.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1373 -9.5856 -4.3515 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0805 -9.1786 -4.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1509 -6.8748 -3.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3876 -6.9061 -3.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -7.3825 -2.5605 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7886 -7.9151 -1.3067 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0154 -7.4099 -0.1399 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6722 -7.7711 -0.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9107 -9.4015 -1.2903 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4453 -9.8011 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6032 -10.1734 1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 -10.4822 2.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 -10.4192 2.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2905 -10.0407 1.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 -9.7330 0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1306 5.8345 5.5611 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3454 6.2679 6.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 6.9259 4.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3632 -0.9446 3.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 -1.7695 2.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5633 -2.3108 4.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2031 -0.7439 5.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0205 0.5663 4.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 1.7272 3.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 0.4182 4.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 1.2836 5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3163 -0.0589 1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3738 2.4639 0.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4444 0.5378 -0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 2.0016 -1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7972 1.1994 -0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3665 4.5328 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5123 5.9803 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7249 5.4758 -2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0337 6.9965 -1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3244 6.8476 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 3.9890 -0.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3636 3.6096 -3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2032 3.5955 -1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7644 3.4232 -2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3792 6.9067 -0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 5.3150 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4454 6.5059 -2.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3375 5.0820 -4.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0714 6.5293 -6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3869 7.1565 -5.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7663 8.3480 -6.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8341 -2.7405 4.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 -4.6696 4.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4323 -4.7045 5.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9166 -5.5733 3.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -4.5814 1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 -2.9073 1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 -4.0399 2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7596 -3.8687 0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -5.4300 1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -2.7536 2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9376 -2.4964 4.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6987 -2.4876 2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9284 -0.8916 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6219 0.1455 3.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3468 -0.8201 1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1898 -0.1787 3.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6146 -1.7180 4.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9024 -0.1759 5.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5041 1.4419 7.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 -0.2034 7.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5557 0.4072 6.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6921 1.4559 7.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5631 1.7652 6.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4431 2.9922 6.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4704 3.4908 7.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3034 4.2817 4.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1893 5.4725 4.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 5.7959 7.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3959 5.8903 7.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3772 7.0479 6.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0976 3.2037 6.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 3.8981 7.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3722 3.1545 5.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 4.0962 4.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7559 6.4023 3.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4153 6.0446 2.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 3.0081 3.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2282 1.4991 1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6627 2.3176 3.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3086 1.2854 3.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1185 -0.4512 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0604 0.8347 4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3775 -0.7285 3.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 -0.4769 4.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2800 1.7159 1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3837 0.6287 0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6209 0.0066 1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6094 1.4670 -0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5828 4.1200 -2.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6590 4.5689 -1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3822 3.9140 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0558 1.7438 -3.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8068 1.5548 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4463 0.4509 -2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 2.2042 -4.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 3.8250 -4.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4101 2.4485 -6.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7481 3.5884 -6.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0156 0.7573 -6.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 1.8946 -6.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3163 0.5321 -4.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8122 -1.2507 -5.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4808 -1.2865 -3.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -3.5593 -3.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 -3.4554 -5.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7237 -3.3435 -3.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -5.4575 -3.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4407 -5.5235 -4.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 -5.6891 -3.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8023 -2.3005 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9416 -3.9035 -1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7663 -3.8582 -1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7929 -2.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0308 1.3463 -5.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9921 0.2663 -6.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2226 1.3817 -5.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 1.0010 -3.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9503 -0.3472 -2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8892 1.0500 -2.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3244 -0.6760 -6.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2813 -2.9368 -3.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6161 -3.5203 -4.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4976 -1.7833 -3.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5120 -2.0141 -7.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -3.4927 -6.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9325 -1.8694 -6.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1164 -4.8053 -3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 -6.7960 -5.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8924 -5.8869 -3.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -5.3187 -5.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7488 -7.4170 -6.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 -7.2126 -5.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 -9.5019 -3.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 -10.3280 -4.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2376 -7.3844 -2.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -7.5333 -1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 -7.7620 0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0576 -6.2857 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -8.0712 0.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9713 -9.9612 -1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -9.7833 -2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5203 -10.2453 0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3993 -10.7826 3.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 -10.6650 3.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3565 -9.9685 1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4743 -9.4344 -0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1522 5.7094 5.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2866 7.3902 7.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5666 5.9007 7.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3516 6.0192 7.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5544 7.3193 5.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1523 7.8167 4.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2377 6.5472 3.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 19 17 1 1 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 3 26 1 6 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 29 33 1 1 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 36 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 6 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 6 0 0 0 58 59 2 0 0 0 0 58 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 65 70 1 0 0 0 0 70 71 2 0 0 0 0 70 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 75 1 0 0 0 0 73 76 1 6 0 0 0 76 77 2 0 0 0 0 76 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 2 0 0 0 0 83 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 2 0 0 0 0 91 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 96 1 0 0 0 0 94 97 1 6 0 0 0 97 98 2 0 0 0 0 97 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100102 1 0 0 0 0 100103 1 6 0 0 0 103104 2 0 0 0 0 103105 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 106112 1 0 0 0 0 112113 2 0 0 0 0 112114 1 0 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 115118 1 0 0 0 0 118119 1 0 0 0 0 119120 2 0 0 0 0 120121 1 0 0 0 0 121122 2 0 0 0 0 122123 1 0 0 0 0 123124 2 0 0 0 0 51125 1 0 0 0 0 125126 1 0 0 0 0 125127 1 0 0 0 0 82 78 1 0 0 0 0 124119 1 0 0 0 0 1128 1 0 0 0 0 1129 1 0 0 0 0 1130 1 0 0 0 0 2131 1 0 0 0 0 2132 1 0 0 0 0 4133 1 0 0 0 0 4134 1 0 0 0 0 4135 1 0 0 0 0 5136 1 0 0 0 0 8137 1 1 0 0 0 9138 1 0 0 0 0 9139 1 0 0 0 0 9140 1 0 0 0 0 10141 1 0 0 0 0 13142 1 1 0 0 0 14143 1 0 0 0 0 14144 1 0 0 0 0 15145 1 0 0 0 0 16146 1 0 0 0 0 20147 1 0 0 0 0 20148 1 0 0 0 0 20149 1 0 0 0 0 21150 1 0 0 0 0 21151 1 0 0 0 0 21152 1 0 0 0 0 22153 1 0 0 0 0 24154 1 0 0 0 0 24155 1 0 0 0 0 24156 1 0 0 0 0 28157 1 0 0 0 0 30158 1 0 0 0 0 30159 1 0 0 0 0 30160 1 0 0 0 0 31161 1 0 0 0 0 31162 1 0 0 0 0 32163 1 0 0 0 0 32164 1 0 0 0 0 32165 1 0 0 0 0 35166 1 0 0 0 0 36167 1 1 0 0 0 37168 1 0 0 0 0 37169 1 0 0 0 0 38170 1 0 0 0 0 38171 1 0 0 0 0 40172 1 0 0 0 0 40173 1 0 0 0 0 44174 1 0 0 0 0 46175 1 0 0 0 0 46176 1 0 0 0 0 46177 1 0 0 0 0 47178 1 0 0 0 0 47179 1 0 0 0 0 47180 1 0 0 0 0 50181 1 0 0 0 0 51182 1 6 0 0 0 54183 1 0 0 0 0 56184 1 0 0 0 0 56185 1 0 0 0 0 56186 1 0 0 0 0 57187 1 0 0 0 0 57188 1 0 0 0 0 57189 1 0 0 0 0 60190 1 0 0 0 0 61191 1 0 0 0 0 61192 1 0 0 0 0 64193 1 0 0 0 0 65194 1 6 0 0 0 66195 1 0 0 0 0 66196 1 0 0 0 0 67197 1 6 0 0 0 68198 1 0 0 0 0 68199 1 0 0 0 0 68200 1 0 0 0 0 69201 1 0 0 0 0 69202 1 0 0 0 0 69203 1 0 0 0 0 72204 1 0 0 0 0 74205 1 0 0 0 0 74206 1 0 0 0 0 74207 1 0 0 0 0 75208 1 0 0 0 0 75209 1 0 0 0 0 75210 1 0 0 0 0 79211 1 0 0 0 0 79212 1 0 0 0 0 80213 1 0 0 0 0 80214 1 0 0 0 0 81215 1 0 0 0 0 81216 1 0 0 0 0 82217 1 1 0 0 0 85218 1 0 0 0 0 86219 1 1 0 0 0 87220 1 0 0 0 0 87221 1 0 0 0 0 88222 1 6 0 0 0 89223 1 0 0 0 0 89224 1 0 0 0 0 89225 1 0 0 0 0 90226 1 0 0 0 0 90227 1 0 0 0 0 90228 1 0 0 0 0 93229 1 0 0 0 0 95230 1 0 0 0 0 95231 1 0 0 0 0 95232 1 0 0 0 0 96233 1 0 0 0 0 96234 1 0 0 0 0 96235 1 0 0 0 0 99236 1 0 0 0 0 101237 1 0 0 0 0 101238 1 0 0 0 0 101239 1 0 0 0 0 102240 1 0 0 0 0 102241 1 0 0 0 0 102242 1 0 0 0 0 105243 1 0 0 0 0 106244 1 6 0 0 0 107245 1 0 0 0 0 107246 1 0 0 0 0 108247 1 0 0 0 0 108248 1 0 0 0 0 110249 1 0 0 0 0 110250 1 0 0 0 0 114251 1 0 0 0 0 115252 1 1 0 0 0 116253 1 0 0 0 0 116254 1 0 0 0 0 117255 1 0 0 0 0 118256 1 0 0 0 0 118257 1 0 0 0 0 120258 1 0 0 0 0 121259 1 0 0 0 0 122260 1 0 0 0 0 123261 1 0 0 0 0 124262 1 0 0 0 0 125263 1 6 0 0 0 126264 1 0 0 0 0 126265 1 0 0 0 0 126266 1 0 0 0 0 127267 1 0 0 0 0 127268 1 0 0 0 0 127269 1 0 0 0 0 M END 3D MOL for NP0023665 (Trichorzin PA IX)RDKit 3D 269270 0 0 0 0 0 0 0 0999 V2000 3.3738 -1.4281 3.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4843 -0.4165 4.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2256 -0.1330 3.3058 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4819 0.9255 4.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4803 0.4962 2.0307 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 1.8201 1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1449 2.5219 2.9151 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2412 2.4174 0.5828 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8358 1.4779 -0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7106 3.7439 0.3582 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3084 3.9728 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 2.9915 0.3243 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2986 5.2692 -0.1313 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5844 6.0464 -1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 6.3755 -0.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5331 5.0135 -0.8731 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2996 5.9033 -1.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0896 7.1299 -1.7049 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5367 5.4239 -2.3178 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7274 3.9349 -2.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7434 6.0852 -1.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4804 5.8849 -3.6513 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 7.1852 -4.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 7.3592 -5.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7486 8.1790 -3.4414 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 -1.2259 3.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6396 -0.9898 2.2598 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1652 -2.4719 3.8153 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9361 -3.3854 3.4555 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7471 -4.6723 4.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9077 -3.7037 2.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4424 -4.3415 1.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1978 -2.7742 3.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 -2.4684 5.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2956 -2.5155 3.1616 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 -1.8794 3.7244 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4479 -1.5729 2.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7554 -0.9330 2.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6543 -1.6853 3.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9383 -1.1362 4.1411 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3106 -2.7641 4.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 -0.6221 4.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8551 -0.3026 4.2544 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9142 0.1083 5.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4774 1.2506 6.0172 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5051 0.6786 7.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6117 1.8943 6.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 2.2955 5.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4899 2.2277 4.1036 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 3.4495 6.0441 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4544 4.5047 5.4239 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0819 4.4896 6.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9914 3.9577 7.1959 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 5.0331 5.3897 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3848 5.0656 5.8254 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4323 6.0097 7.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8939 3.7504 6.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 5.6605 4.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9034 6.7610 4.2757 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3725 4.9839 4.2083 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1219 5.5710 3.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0025 4.5821 2.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 5.0496 1.3112 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2906 3.2900 2.7821 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9802 2.2174 2.1365 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9134 1.5602 3.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7154 0.4106 2.5948 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5575 -0.0721 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7611 0.7604 1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 2.7887 0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5445 3.6925 1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3941 2.2353 -0.3211 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8255 2.4513 -1.6263 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4463 3.9004 -1.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8075 1.5156 -2.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6141 2.7243 -2.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9271 3.6843 -1.8984 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 2.1877 -3.6381 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9817 2.7713 -4.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3178 2.6607 -5.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 1.4920 -5.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3428 0.9605 -4.4510 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2190 0.0620 -4.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 0.2972 -2.8767 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5737 -0.9522 -4.7843 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4638 -1.6246 -4.1004 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5487 -3.1139 -4.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7715 -3.6879 -3.4959 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6554 -5.2102 -3.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8159 -3.3776 -1.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 -1.1784 -4.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9213 -1.1457 -5.8687 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1157 -0.7594 -3.7518 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1653 -0.3219 -4.2128 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0980 0.7213 -5.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7322 0.4737 -2.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1264 -1.3768 -4.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0284 -2.3973 -3.6391 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1632 -1.4195 -5.3732 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0619 -2.5776 -5.3775 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8468 -2.6995 -4.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0304 -2.4660 -6.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2957 -3.8624 -5.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 -3.9072 -6.5741 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4654 -4.9366 -4.7181 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7927 -6.2211 -4.8518 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3167 -6.1509 -4.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6535 -7.3977 -5.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9004 -8.6985 -4.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1373 -9.5856 -4.3515 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0805 -9.1786 -4.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1509 -6.8748 -3.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3876 -6.9061 -3.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -7.3825 -2.5605 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7886 -7.9151 -1.3067 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0154 -7.4099 -0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6722 -7.7711 -0.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9107 -9.4015 -1.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4453 -9.8011 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6032 -10.1734 1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 -10.4822 2.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 -10.4192 2.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2905 -10.0407 1.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 -9.7330 0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1306 5.8345 5.5611 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3454 6.2679 6.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 6.9259 4.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3632 -0.9446 3.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 -1.7695 2.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5633 -2.3108 4.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2031 -0.7439 5.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0205 0.5663 4.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 1.7272 3.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 0.4182 4.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 1.2836 5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3163 -0.0589 1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3738 2.4639 0.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4444 0.5378 -0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 2.0016 -1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7972 1.1994 -0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3665 4.5328 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5123 5.9803 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7249 5.4758 -2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0337 6.9965 -1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3244 6.8476 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 3.9890 -0.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3636 3.6096 -3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2032 3.5955 -1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7644 3.4232 -2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3792 6.9067 -0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 5.3150 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4454 6.5059 -2.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3375 5.0820 -4.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0714 6.5293 -6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3869 7.1565 -5.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7663 8.3480 -6.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8341 -2.7405 4.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 -4.6696 4.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4323 -4.7045 5.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9166 -5.5733 3.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -4.5814 1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 -2.9073 1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 -4.0399 2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7596 -3.8687 0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -5.4300 1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -2.7536 2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9376 -2.4964 4.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6987 -2.4876 2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9284 -0.8916 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6219 0.1455 3.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3468 -0.8201 1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1898 -0.1787 3.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6146 -1.7180 4.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9024 -0.1759 5.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5041 1.4419 7.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 -0.2034 7.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5557 0.4072 6.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6921 1.4559 7.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5631 1.7652 6.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4431 2.9922 6.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4704 3.4908 7.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3034 4.2817 4.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1893 5.4725 4.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 5.7959 7.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3959 5.8903 7.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3772 7.0479 6.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0976 3.2037 6.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 3.8981 7.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3722 3.1545 5.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 4.0962 4.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7559 6.4023 3.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4153 6.0446 2.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 3.0081 3.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2282 1.4991 1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6627 2.3176 3.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3086 1.2854 3.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1185 -0.4512 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0604 0.8347 4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3775 -0.7285 3.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 -0.4769 4.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2800 1.7159 1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3837 0.6287 0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6209 0.0066 1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6094 1.4670 -0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5828 4.1200 -2.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6590 4.5689 -1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3822 3.9140 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0558 1.7438 -3.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8068 1.5548 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4463 0.4509 -2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 2.2042 -4.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 3.8250 -4.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4101 2.4485 -6.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7481 3.5884 -6.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0156 0.7573 -6.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 1.8946 -6.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3163 0.5321 -4.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8122 -1.2507 -5.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4808 -1.2865 -3.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -3.5593 -3.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 -3.4554 -5.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7237 -3.3435 -3.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -5.4575 -3.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4407 -5.5235 -4.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 -5.6891 -3.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8023 -2.3005 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9416 -3.9035 -1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7663 -3.8582 -1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7929 -2.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0308 1.3463 -5.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9921 0.2663 -6.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2226 1.3817 -5.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 1.0010 -3.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9503 -0.3472 -2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8892 1.0500 -2.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3244 -0.6760 -6.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2813 -2.9368 -3.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6161 -3.5203 -4.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4976 -1.7833 -3.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5120 -2.0141 -7.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -3.4927 -6.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9325 -1.8694 -6.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1164 -4.8053 -3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 -6.7960 -5.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8924 -5.8869 -3.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -5.3187 -5.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7488 -7.4170 -6.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 -7.2126 -5.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 -9.5019 -3.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 -10.3280 -4.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2376 -7.3844 -2.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -7.5333 -1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 -7.7620 0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0576 -6.2857 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -8.0712 0.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9713 -9.9612 -1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -9.7833 -2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5203 -10.2453 0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3993 -10.7826 3.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 -10.6650 3.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3565 -9.9685 1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4743 -9.4344 -0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1522 5.7094 5.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2866 7.3902 7.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5666 5.9007 7.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3516 6.0192 7.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5544 7.3193 5.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1523 7.8167 4.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2377 6.5472 3.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 17 18 2 0 19 17 1 1 19 20 1 0 19 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 23 25 2 0 3 26 1 6 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 29 33 1 1 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 2 0 36 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 45 48 1 6 48 49 2 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 6 58 59 2 0 58 60 1 0 60 61 1 0 61 62 1 0 62 63 2 0 62 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 67 69 1 0 65 70 1 0 70 71 2 0 70 72 1 0 72 73 1 0 73 74 1 0 73 75 1 0 73 76 1 6 76 77 2 0 76 78 1 0 78 79 1 0 79 80 1 0 80 81 1 0 81 82 1 0 82 83 1 0 83 84 2 0 83 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 88 89 1 0 88 90 1 0 86 91 1 0 91 92 2 0 91 93 1 0 93 94 1 0 94 95 1 0 94 96 1 0 94 97 1 6 97 98 2 0 97 99 1 0 99100 1 0 100101 1 0 100102 1 0 100103 1 6 103104 2 0 103105 1 0 105106 1 0 106107 1 0 107108 1 0 108109 1 0 109110 1 0 109111 2 0 106112 1 0 112113 2 0 112114 1 0 114115 1 0 115116 1 0 116117 1 0 115118 1 0 118119 1 0 119120 2 0 120121 1 0 121122 2 0 122123 1 0 123124 2 0 51125 1 0 125126 1 0 125127 1 0 82 78 1 0 124119 1 0 1128 1 0 1129 1 0 1130 1 0 2131 1 0 2132 1 0 4133 1 0 4134 1 0 4135 1 0 5136 1 0 8137 1 1 9138 1 0 9139 1 0 9140 1 0 10141 1 0 13142 1 1 14143 1 0 14144 1 0 15145 1 0 16146 1 0 20147 1 0 20148 1 0 20149 1 0 21150 1 0 21151 1 0 21152 1 0 22153 1 0 24154 1 0 24155 1 0 24156 1 0 28157 1 0 30158 1 0 30159 1 0 30160 1 0 31161 1 0 31162 1 0 32163 1 0 32164 1 0 32165 1 0 35166 1 0 36167 1 1 37168 1 0 37169 1 0 38170 1 0 38171 1 0 40172 1 0 40173 1 0 44174 1 0 46175 1 0 46176 1 0 46177 1 0 47178 1 0 47179 1 0 47180 1 0 50181 1 0 51182 1 6 54183 1 0 56184 1 0 56185 1 0 56186 1 0 57187 1 0 57188 1 0 57189 1 0 60190 1 0 61191 1 0 61192 1 0 64193 1 0 65194 1 6 66195 1 0 66196 1 0 67197 1 6 68198 1 0 68199 1 0 68200 1 0 69201 1 0 69202 1 0 69203 1 0 72204 1 0 74205 1 0 74206 1 0 74207 1 0 75208 1 0 75209 1 0 75210 1 0 79211 1 0 79212 1 0 80213 1 0 80214 1 0 81215 1 0 81216 1 0 82217 1 1 85218 1 0 86219 1 1 87220 1 0 87221 1 0 88222 1 6 89223 1 0 89224 1 0 89225 1 0 90226 1 0 90227 1 0 90228 1 0 93229 1 0 95230 1 0 95231 1 0 95232 1 0 96233 1 0 96234 1 0 96235 1 0 99236 1 0 101237 1 0 101238 1 0 101239 1 0 102240 1 0 102241 1 0 102242 1 0 105243 1 0 106244 1 6 107245 1 0 107246 1 0 108247 1 0 108248 1 0 110249 1 0 110250 1 0 114251 1 0 115252 1 1 116253 1 0 116254 1 0 117255 1 0 118256 1 0 118257 1 0 120258 1 0 121259 1 0 122260 1 0 123261 1 0 124262 1 0 125263 1 6 126264 1 0 126265 1 0 126266 1 0 127267 1 0 127268 1 0 127269 1 0 M END 3D SDF for NP0023665 (Trichorzin PA IX)Mrv1652307042108203D 269270 0 0 0 0 999 V2000 3.3738 -1.4281 3.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4843 -0.4165 4.0708 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2256 -0.1330 3.3058 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4819 0.9255 4.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4803 0.4962 2.0307 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 1.8201 1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1449 2.5219 2.9151 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2412 2.4174 0.5828 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8358 1.4779 -0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7106 3.7439 0.3582 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3084 3.9728 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 2.9915 0.3243 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2986 5.2692 -0.1313 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5844 6.0464 -1.1212 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7900 6.3755 -0.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5331 5.0135 -0.8731 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2996 5.9033 -1.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0896 7.1299 -1.7049 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5367 5.4239 -2.3178 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7274 3.9349 -2.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7434 6.0852 -1.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4804 5.8849 -3.6513 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 7.1852 -4.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 7.3592 -5.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7486 8.1790 -3.4414 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 -1.2259 3.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6396 -0.9898 2.2598 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1652 -2.4719 3.8153 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9361 -3.3854 3.4555 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7471 -4.6723 4.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9077 -3.7037 2.0255 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4424 -4.3415 1.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1978 -2.7742 3.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 -2.4684 5.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2956 -2.5155 3.1616 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 -1.8794 3.7244 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4479 -1.5729 2.6517 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7554 -0.9330 2.9348 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6543 -1.6853 3.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9383 -1.1362 4.1411 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3106 -2.7641 4.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 -0.6221 4.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8551 -0.3026 4.2544 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9142 0.1083 5.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4774 1.2506 6.0172 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5051 0.6786 7.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6117 1.8943 6.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 2.2955 5.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4899 2.2277 4.1036 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 3.4495 6.0441 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4544 4.5047 5.4239 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0819 4.4896 6.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9914 3.9577 7.1959 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 5.0331 5.3897 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3848 5.0656 5.8254 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4323 6.0097 7.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8939 3.7504 6.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 5.6605 4.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9034 6.7610 4.2757 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3725 4.9839 4.2083 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1219 5.5710 3.1081 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0025 4.5821 2.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 5.0496 1.3112 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2906 3.2900 2.7821 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9802 2.2174 2.1365 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9134 1.5602 3.0802 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7154 0.4106 2.5948 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5575 -0.0721 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7611 0.7604 1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 2.7887 0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5445 3.6925 1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3941 2.2353 -0.3211 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8255 2.4513 -1.6263 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4463 3.9004 -1.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8075 1.5156 -2.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6141 2.7243 -2.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9271 3.6843 -1.8984 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 2.1877 -3.6381 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9817 2.7713 -4.3788 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3178 2.6607 -5.8239 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2720 1.4920 -5.8378 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3428 0.9605 -4.4510 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2190 0.0620 -4.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 0.2972 -2.8767 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5737 -0.9522 -4.7843 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4638 -1.6246 -4.1004 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5487 -3.1139 -4.1269 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7715 -3.6879 -3.4959 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6554 -5.2102 -3.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8159 -3.3776 -1.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 -1.1784 -4.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9213 -1.1457 -5.8687 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1157 -0.7594 -3.7518 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1653 -0.3219 -4.2128 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0980 0.7213 -5.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7322 0.4737 -2.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1264 -1.3768 -4.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0284 -2.3973 -3.6391 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1632 -1.4195 -5.3732 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0619 -2.5776 -5.3775 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8468 -2.6995 -4.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0304 -2.4660 -6.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2957 -3.8624 -5.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 -3.9072 -6.5741 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4654 -4.9366 -4.7181 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7927 -6.2211 -4.8518 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3167 -6.1509 -4.9227 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6535 -7.3977 -5.3638 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9004 -8.6985 -4.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1373 -9.5856 -4.3515 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0805 -9.1786 -4.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1509 -6.8748 -3.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3876 -6.9061 -3.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -7.3825 -2.5605 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7886 -7.9151 -1.3067 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0154 -7.4099 -0.1399 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6722 -7.7711 -0.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9107 -9.4015 -1.2903 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4453 -9.8011 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6032 -10.1734 1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 -10.4822 2.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 -10.4192 2.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2905 -10.0407 1.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 -9.7330 0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1306 5.8345 5.5611 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3454 6.2679 6.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 6.9259 4.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3632 -0.9446 3.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 -1.7695 2.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5633 -2.3108 4.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2031 -0.7439 5.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0205 0.5663 4.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 1.7272 3.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 0.4182 4.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 1.2836 5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3163 -0.0589 1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3738 2.4639 0.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4444 0.5378 -0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 2.0016 -1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7972 1.1994 -0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3665 4.5328 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5123 5.9803 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7249 5.4758 -2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0337 6.9965 -1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3244 6.8476 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 3.9890 -0.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3636 3.6096 -3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2032 3.5955 -1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7644 3.4232 -2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3792 6.9067 -0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 5.3150 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4454 6.5059 -2.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3375 5.0820 -4.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0714 6.5293 -6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3869 7.1565 -5.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7663 8.3480 -6.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8341 -2.7405 4.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 -4.6696 4.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4323 -4.7045 5.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9166 -5.5733 3.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -4.5814 1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 -2.9073 1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 -4.0399 2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7596 -3.8687 0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -5.4300 1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -2.7536 2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9376 -2.4964 4.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6987 -2.4876 2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9284 -0.8916 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6219 0.1455 3.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3468 -0.8201 1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1898 -0.1787 3.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6146 -1.7180 4.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9024 -0.1759 5.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5041 1.4419 7.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 -0.2034 7.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5557 0.4072 6.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6921 1.4559 7.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5631 1.7652 6.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4431 2.9922 6.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4704 3.4908 7.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3034 4.2817 4.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1893 5.4725 4.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 5.7959 7.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3959 5.8903 7.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3772 7.0479 6.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0976 3.2037 6.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 3.8981 7.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3722 3.1545 5.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 4.0962 4.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7559 6.4023 3.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4153 6.0446 2.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 3.0081 3.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2282 1.4991 1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6627 2.3176 3.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3086 1.2854 3.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1185 -0.4512 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0604 0.8347 4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3775 -0.7285 3.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 -0.4769 4.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2800 1.7159 1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3837 0.6287 0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6209 0.0066 1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6094 1.4670 -0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5828 4.1200 -2.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6590 4.5689 -1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3822 3.9140 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0558 1.7438 -3.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8068 1.5548 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4463 0.4509 -2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 2.2042 -4.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 3.8250 -4.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4101 2.4485 -6.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7481 3.5884 -6.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0156 0.7573 -6.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 1.8946 -6.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3163 0.5321 -4.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8122 -1.2507 -5.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4808 -1.2865 -3.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -3.5593 -3.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 -3.4554 -5.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7237 -3.3435 -3.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -5.4575 -3.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4407 -5.5235 -4.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 -5.6891 -3.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8023 -2.3005 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9416 -3.9035 -1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7663 -3.8582 -1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7929 -2.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0308 1.3463 -5.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9921 0.2663 -6.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2226 1.3817 -5.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 1.0010 -3.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9503 -0.3472 -2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8892 1.0500 -2.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3244 -0.6760 -6.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2813 -2.9368 -3.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6161 -3.5203 -4.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4976 -1.7833 -3.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5120 -2.0141 -7.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -3.4927 -6.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9325 -1.8694 -6.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1164 -4.8053 -3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 -6.7960 -5.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8924 -5.8869 -3.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -5.3187 -5.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7488 -7.4170 -6.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 -7.2126 -5.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 -9.5019 -3.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 -10.3280 -4.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2376 -7.3844 -2.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -7.5333 -1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 -7.7620 0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0576 -6.2857 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -8.0712 0.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9713 -9.9612 -1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -9.7833 -2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5203 -10.2453 0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3993 -10.7826 3.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 -10.6650 3.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3565 -9.9685 1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4743 -9.4344 -0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1522 5.7094 5.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2866 7.3902 7.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5666 5.9007 7.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3516 6.0192 7.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5544 7.3193 5.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1523 7.8167 4.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2377 6.5472 3.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 19 17 1 1 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 3 26 1 6 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 29 33 1 1 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 36 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 6 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 6 0 0 0 58 59 2 0 0 0 0 58 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 65 70 1 0 0 0 0 70 71 2 0 0 0 0 70 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 75 1 0 0 0 0 73 76 1 6 0 0 0 76 77 2 0 0 0 0 76 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 2 0 0 0 0 83 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 2 0 0 0 0 91 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 96 1 0 0 0 0 94 97 1 6 0 0 0 97 98 2 0 0 0 0 97 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100102 1 0 0 0 0 100103 1 6 0 0 0 103104 2 0 0 0 0 103105 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 106112 1 0 0 0 0 112113 2 0 0 0 0 112114 1 0 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 115118 1 0 0 0 0 118119 1 0 0 0 0 119120 2 0 0 0 0 120121 1 0 0 0 0 121122 2 0 0 0 0 122123 1 0 0 0 0 123124 2 0 0 0 0 51125 1 0 0 0 0 125126 1 0 0 0 0 125127 1 0 0 0 0 82 78 1 0 0 0 0 124119 1 0 0 0 0 1128 1 0 0 0 0 1129 1 0 0 0 0 1130 1 0 0 0 0 2131 1 0 0 0 0 2132 1 0 0 0 0 4133 1 0 0 0 0 4134 1 0 0 0 0 4135 1 0 0 0 0 5136 1 0 0 0 0 8137 1 1 0 0 0 9138 1 0 0 0 0 9139 1 0 0 0 0 9140 1 0 0 0 0 10141 1 0 0 0 0 13142 1 1 0 0 0 14143 1 0 0 0 0 14144 1 0 0 0 0 15145 1 0 0 0 0 16146 1 0 0 0 0 20147 1 0 0 0 0 20148 1 0 0 0 0 20149 1 0 0 0 0 21150 1 0 0 0 0 21151 1 0 0 0 0 21152 1 0 0 0 0 22153 1 0 0 0 0 24154 1 0 0 0 0 24155 1 0 0 0 0 24156 1 0 0 0 0 28157 1 0 0 0 0 30158 1 0 0 0 0 30159 1 0 0 0 0 30160 1 0 0 0 0 31161 1 0 0 0 0 31162 1 0 0 0 0 32163 1 0 0 0 0 32164 1 0 0 0 0 32165 1 0 0 0 0 35166 1 0 0 0 0 36167 1 1 0 0 0 37168 1 0 0 0 0 37169 1 0 0 0 0 38170 1 0 0 0 0 38171 1 0 0 0 0 40172 1 0 0 0 0 40173 1 0 0 0 0 44174 1 0 0 0 0 46175 1 0 0 0 0 46176 1 0 0 0 0 46177 1 0 0 0 0 47178 1 0 0 0 0 47179 1 0 0 0 0 47180 1 0 0 0 0 50181 1 0 0 0 0 51182 1 6 0 0 0 54183 1 0 0 0 0 56184 1 0 0 0 0 56185 1 0 0 0 0 56186 1 0 0 0 0 57187 1 0 0 0 0 57188 1 0 0 0 0 57189 1 0 0 0 0 60190 1 0 0 0 0 61191 1 0 0 0 0 61192 1 0 0 0 0 64193 1 0 0 0 0 65194 1 6 0 0 0 66195 1 0 0 0 0 66196 1 0 0 0 0 67197 1 6 0 0 0 68198 1 0 0 0 0 68199 1 0 0 0 0 68200 1 0 0 0 0 69201 1 0 0 0 0 69202 1 0 0 0 0 69203 1 0 0 0 0 72204 1 0 0 0 0 74205 1 0 0 0 0 74206 1 0 0 0 0 74207 1 0 0 0 0 75208 1 0 0 0 0 75209 1 0 0 0 0 75210 1 0 0 0 0 79211 1 0 0 0 0 79212 1 0 0 0 0 80213 1 0 0 0 0 80214 1 0 0 0 0 81215 1 0 0 0 0 81216 1 0 0 0 0 82217 1 1 0 0 0 85218 1 0 0 0 0 86219 1 1 0 0 0 87220 1 0 0 0 0 87221 1 0 0 0 0 88222 1 6 0 0 0 89223 1 0 0 0 0 89224 1 0 0 0 0 89225 1 0 0 0 0 90226 1 0 0 0 0 90227 1 0 0 0 0 90228 1 0 0 0 0 93229 1 0 0 0 0 95230 1 0 0 0 0 95231 1 0 0 0 0 95232 1 0 0 0 0 96233 1 0 0 0 0 96234 1 0 0 0 0 96235 1 0 0 0 0 99236 1 0 0 0 0 101237 1 0 0 0 0 101238 1 0 0 0 0 101239 1 0 0 0 0 102240 1 0 0 0 0 102241 1 0 0 0 0 102242 1 0 0 0 0 105243 1 0 0 0 0 106244 1 6 0 0 0 107245 1 0 0 0 0 107246 1 0 0 0 0 108247 1 0 0 0 0 108248 1 0 0 0 0 110249 1 0 0 0 0 110250 1 0 0 0 0 114251 1 0 0 0 0 115252 1 1 0 0 0 116253 1 0 0 0 0 116254 1 0 0 0 0 117255 1 0 0 0 0 118256 1 0 0 0 0 118257 1 0 0 0 0 120258 1 0 0 0 0 121259 1 0 0 0 0 122260 1 0 0 0 0 123261 1 0 0 0 0 124262 1 0 0 0 0 125263 1 6 0 0 0 126264 1 0 0 0 0 126265 1 0 0 0 0 126266 1 0 0 0 0 127267 1 0 0 0 0 127268 1 0 0 0 0 127269 1 0 0 0 0 M END > <DATABASE_ID> NP0023665 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC([H])([H])[C@@]([H])(N([H])C(=O)C(N([H])C(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@](C(=O)N([H])[C@](C(=O)N([H])[C@@]([H])(C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])C(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])C(C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])O[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C85H142N20O22/c1-25-84(23,104-76(126)85(24,26-2)102-62(112)48(9)89-64(114)56(44-107)95-71(121)79(13,14)97-49(10)108)75(125)94-53(35-37-59(87)110)65(115)98-80(15,16)73(123)96-61(47(7)8)69(119)101-78(11,12)70(120)88-42-60(111)91-54(39-45(3)4)66(116)100-83(21,22)77(127)105-38-30-33-57(105)68(118)92-55(40-46(5)6)67(117)99-82(19,20)74(124)103-81(17,18)72(122)93-52(34-36-58(86)109)63(113)90-51(43-106)41-50-31-28-27-29-32-50/h27-29,31-32,45-48,51-57,61,106-107H,25-26,30,33-44H2,1-24H3,(H2,86,109)(H2,87,110)(H,88,120)(H,89,114)(H,90,113)(H,91,111)(H,92,118)(H,93,122)(H,94,125)(H,95,121)(H,96,123)(H,97,108)(H,98,115)(H,99,117)(H,100,116)(H,101,119)(H,102,112)(H,103,124)(H,104,126)/t48-,51+,52+,53-,54-,55-,56-,57-,61+,84-,85-/m1/s1 > <INCHI_KEY> LSUGDYLGJSFGHM-UHFFFAOYSA-N > <FORMULA> C85H142N20O22 > <MOLECULAR_WEIGHT> 1796.189 > <EXACT_MASS> 1795.060756292 > <JCHEM_ACCEPTOR_COUNT> 22 > <JCHEM_ATOM_COUNT> 269 > <JCHEM_AVERAGE_POLARIZABILITY> 188.79337693325624 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 21 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2R)-N-(1-{[(1S)-1-({1-[({[(1R)-1-({1-[(2R)-2-{[(1R)-1-({1-[(1-{[(1S)-3-carbamoyl-1-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}propyl]carbamoyl}-1-methylethyl)carbamoyl]-1-methylethyl}carbamoyl)-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}methyl)carbamoyl]-1-methylethyl}carbamoyl)-2-methylpropyl]carbamoyl}-1-methylethyl)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-(2-acetamido-2-methylpropanamido)-3-hydroxypropanamido]propanamido]-2-methylbutanamido]-2-methylbutanamido]pentanediamide > <JCHEM_LOGP> -4.304943693333328 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 11.70124549162396 > <JCHEM_PKA_STRONGEST_ACIDIC> 11.328530791184068 > <JCHEM_POLAR_SURFACE_AREA> 641.6499999999999 > <JCHEM_REFRACTIVITY> 461.80980000000017 > <JCHEM_ROTATABLE_BOND_COUNT> 51 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> (2R)-N-(1-{[(1S)-1-({1-[({[(1R)-1-({1-[(2R)-2-{[(1R)-1-({1-[(1-{[(1S)-3-carbamoyl-1-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}propyl]carbamoyl}-1-methylethyl)carbamoyl]-1-methylethyl}carbamoyl)-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}methyl)carbamoyl]-1-methylethyl}carbamoyl)-2-methylpropyl]carbamoyl}-1-methylethyl)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-(2-acetamido-2-methylpropanamido)-3-hydroxypropanamido]propanamido]-2-methylbutanamido]-2-methylbutanamido]pentanediamide > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0023665 (Trichorzin PA IX)RDKit 3D 269270 0 0 0 0 0 0 0 0999 V2000 3.3738 -1.4281 3.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4843 -0.4165 4.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2256 -0.1330 3.3058 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4819 0.9255 4.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4803 0.4962 2.0307 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 1.8201 1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1449 2.5219 2.9151 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2412 2.4174 0.5828 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8358 1.4779 -0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7106 3.7439 0.3582 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3084 3.9728 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 2.9915 0.3243 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2986 5.2692 -0.1313 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5844 6.0464 -1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 6.3755 -0.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5331 5.0135 -0.8731 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2996 5.9033 -1.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0896 7.1299 -1.7049 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5367 5.4239 -2.3178 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7274 3.9349 -2.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7434 6.0852 -1.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4804 5.8849 -3.6513 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 7.1852 -4.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 7.3592 -5.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7486 8.1790 -3.4414 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 -1.2259 3.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6396 -0.9898 2.2598 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1652 -2.4719 3.8153 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9361 -3.3854 3.4555 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7471 -4.6723 4.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9077 -3.7037 2.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4424 -4.3415 1.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1978 -2.7742 3.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 -2.4684 5.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2956 -2.5155 3.1616 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 -1.8794 3.7244 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4479 -1.5729 2.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7554 -0.9330 2.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6543 -1.6853 3.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9383 -1.1362 4.1411 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3106 -2.7641 4.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 -0.6221 4.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8551 -0.3026 4.2544 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9142 0.1083 5.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4774 1.2506 6.0172 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5051 0.6786 7.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6117 1.8943 6.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 2.2955 5.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4899 2.2277 4.1036 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 3.4495 6.0441 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4544 4.5047 5.4239 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0819 4.4896 6.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9914 3.9577 7.1959 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 5.0331 5.3897 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3848 5.0656 5.8254 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4323 6.0097 7.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8939 3.7504 6.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 5.6605 4.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9034 6.7610 4.2757 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3725 4.9839 4.2083 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1219 5.5710 3.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0025 4.5821 2.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 5.0496 1.3112 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2906 3.2900 2.7821 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9802 2.2174 2.1365 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9134 1.5602 3.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7154 0.4106 2.5948 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5575 -0.0721 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7611 0.7604 1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 2.7887 0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5445 3.6925 1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3941 2.2353 -0.3211 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8255 2.4513 -1.6263 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4463 3.9004 -1.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8075 1.5156 -2.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6141 2.7243 -2.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9271 3.6843 -1.8984 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 2.1877 -3.6381 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9817 2.7713 -4.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3178 2.6607 -5.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 1.4920 -5.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3428 0.9605 -4.4510 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2190 0.0620 -4.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 0.2972 -2.8767 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5737 -0.9522 -4.7843 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4638 -1.6246 -4.1004 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5487 -3.1139 -4.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7715 -3.6879 -3.4959 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6554 -5.2102 -3.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8159 -3.3776 -1.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 -1.1784 -4.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9213 -1.1457 -5.8687 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1157 -0.7594 -3.7518 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1653 -0.3219 -4.2128 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0980 0.7213 -5.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7322 0.4737 -2.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1264 -1.3768 -4.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0284 -2.3973 -3.6391 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1632 -1.4195 -5.3732 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0619 -2.5776 -5.3775 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8468 -2.6995 -4.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0304 -2.4660 -6.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2957 -3.8624 -5.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 -3.9072 -6.5741 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4654 -4.9366 -4.7181 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7927 -6.2211 -4.8518 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3167 -6.1509 -4.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6535 -7.3977 -5.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9004 -8.6985 -4.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1373 -9.5856 -4.3515 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0805 -9.1786 -4.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1509 -6.8748 -3.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3876 -6.9061 -3.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -7.3825 -2.5605 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7886 -7.9151 -1.3067 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0154 -7.4099 -0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6722 -7.7711 -0.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9107 -9.4015 -1.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4453 -9.8011 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6032 -10.1734 1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 -10.4822 2.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 -10.4192 2.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2905 -10.0407 1.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 -9.7330 0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1306 5.8345 5.5611 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3454 6.2679 6.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 6.9259 4.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3632 -0.9446 3.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 -1.7695 2.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5633 -2.3108 4.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2031 -0.7439 5.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0205 0.5663 4.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 1.7272 3.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 0.4182 4.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 1.2836 5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3163 -0.0589 1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3738 2.4639 0.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4444 0.5378 -0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 2.0016 -1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7972 1.1994 -0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3665 4.5328 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5123 5.9803 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7249 5.4758 -2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0337 6.9965 -1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3244 6.8476 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 3.9890 -0.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3636 3.6096 -3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2032 3.5955 -1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7644 3.4232 -2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3792 6.9067 -0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 5.3150 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4454 6.5059 -2.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3375 5.0820 -4.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0714 6.5293 -6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3869 7.1565 -5.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7663 8.3480 -6.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8341 -2.7405 4.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 -4.6696 4.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4323 -4.7045 5.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9166 -5.5733 3.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -4.5814 1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 -2.9073 1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 -4.0399 2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7596 -3.8687 0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -5.4300 1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -2.7536 2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9376 -2.4964 4.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6987 -2.4876 2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9284 -0.8916 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6219 0.1455 3.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3468 -0.8201 1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1898 -0.1787 3.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6146 -1.7180 4.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9024 -0.1759 5.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5041 1.4419 7.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 -0.2034 7.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5557 0.4072 6.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6921 1.4559 7.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5631 1.7652 6.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4431 2.9922 6.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4704 3.4908 7.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3034 4.2817 4.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1893 5.4725 4.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 5.7959 7.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3959 5.8903 7.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3772 7.0479 6.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0976 3.2037 6.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 3.8981 7.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3722 3.1545 5.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 4.0962 4.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7559 6.4023 3.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4153 6.0446 2.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 3.0081 3.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2282 1.4991 1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6627 2.3176 3.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3086 1.2854 3.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1185 -0.4512 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0604 0.8347 4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3775 -0.7285 3.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 -0.4769 4.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2800 1.7159 1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3837 0.6287 0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6209 0.0066 1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6094 1.4670 -0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5828 4.1200 -2.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6590 4.5689 -1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3822 3.9140 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0558 1.7438 -3.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8068 1.5548 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4463 0.4509 -2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 2.2042 -4.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 3.8250 -4.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4101 2.4485 -6.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7481 3.5884 -6.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0156 0.7573 -6.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 1.8946 -6.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3163 0.5321 -4.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8122 -1.2507 -5.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4808 -1.2865 -3.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -3.5593 -3.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 -3.4554 -5.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7237 -3.3435 -3.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -5.4575 -3.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4407 -5.5235 -4.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 -5.6891 -3.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8023 -2.3005 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9416 -3.9035 -1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7663 -3.8582 -1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7929 -2.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0308 1.3463 -5.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9921 0.2663 -6.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2226 1.3817 -5.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 1.0010 -3.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9503 -0.3472 -2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8892 1.0500 -2.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3244 -0.6760 -6.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2813 -2.9368 -3.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6161 -3.5203 -4.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4976 -1.7833 -3.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5120 -2.0141 -7.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -3.4927 -6.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9325 -1.8694 -6.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1164 -4.8053 -3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 -6.7960 -5.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8924 -5.8869 -3.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -5.3187 -5.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7488 -7.4170 -6.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 -7.2126 -5.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 -9.5019 -3.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 -10.3280 -4.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2376 -7.3844 -2.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -7.5333 -1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 -7.7620 0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0576 -6.2857 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -8.0712 0.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9713 -9.9612 -1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -9.7833 -2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5203 -10.2453 0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3993 -10.7826 3.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 -10.6650 3.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3565 -9.9685 1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4743 -9.4344 -0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1522 5.7094 5.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2866 7.3902 7.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5666 5.9007 7.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3516 6.0192 7.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5544 7.3193 5.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1523 7.8167 4.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2377 6.5472 3.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 17 18 2 0 19 17 1 1 19 20 1 0 19 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 23 25 2 0 3 26 1 6 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 29 33 1 1 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 2 0 36 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 45 48 1 6 48 49 2 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 6 58 59 2 0 58 60 1 0 60 61 1 0 61 62 1 0 62 63 2 0 62 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 67 69 1 0 65 70 1 0 70 71 2 0 70 72 1 0 72 73 1 0 73 74 1 0 73 75 1 0 73 76 1 6 76 77 2 0 76 78 1 0 78 79 1 0 79 80 1 0 80 81 1 0 81 82 1 0 82 83 1 0 83 84 2 0 83 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 88 89 1 0 88 90 1 0 86 91 1 0 91 92 2 0 91 93 1 0 93 94 1 0 94 95 1 0 94 96 1 0 94 97 1 6 97 98 2 0 97 99 1 0 99100 1 0 100101 1 0 100102 1 0 100103 1 6 103104 2 0 103105 1 0 105106 1 0 106107 1 0 107108 1 0 108109 1 0 109110 1 0 109111 2 0 106112 1 0 112113 2 0 112114 1 0 114115 1 0 115116 1 0 116117 1 0 115118 1 0 118119 1 0 119120 2 0 120121 1 0 121122 2 0 122123 1 0 123124 2 0 51125 1 0 125126 1 0 125127 1 0 82 78 1 0 124119 1 0 1128 1 0 1129 1 0 1130 1 0 2131 1 0 2132 1 0 4133 1 0 4134 1 0 4135 1 0 5136 1 0 8137 1 1 9138 1 0 9139 1 0 9140 1 0 10141 1 0 13142 1 1 14143 1 0 14144 1 0 15145 1 0 16146 1 0 20147 1 0 20148 1 0 20149 1 0 21150 1 0 21151 1 0 21152 1 0 22153 1 0 24154 1 0 24155 1 0 24156 1 0 28157 1 0 30158 1 0 30159 1 0 30160 1 0 31161 1 0 31162 1 0 32163 1 0 32164 1 0 32165 1 0 35166 1 0 36167 1 1 37168 1 0 37169 1 0 38170 1 0 38171 1 0 40172 1 0 40173 1 0 44174 1 0 46175 1 0 46176 1 0 46177 1 0 47178 1 0 47179 1 0 47180 1 0 50181 1 0 51182 1 6 54183 1 0 56184 1 0 56185 1 0 56186 1 0 57187 1 0 57188 1 0 57189 1 0 60190 1 0 61191 1 0 61192 1 0 64193 1 0 65194 1 6 66195 1 0 66196 1 0 67197 1 6 68198 1 0 68199 1 0 68200 1 0 69201 1 0 69202 1 0 69203 1 0 72204 1 0 74205 1 0 74206 1 0 74207 1 0 75208 1 0 75209 1 0 75210 1 0 79211 1 0 79212 1 0 80213 1 0 80214 1 0 81215 1 0 81216 1 0 82217 1 1 85218 1 0 86219 1 1 87220 1 0 87221 1 0 88222 1 6 89223 1 0 89224 1 0 89225 1 0 90226 1 0 90227 1 0 90228 1 0 93229 1 0 95230 1 0 95231 1 0 95232 1 0 96233 1 0 96234 1 0 96235 1 0 99236 1 0 101237 1 0 101238 1 0 101239 1 0 102240 1 0 102241 1 0 102242 1 0 105243 1 0 106244 1 6 107245 1 0 107246 1 0 108247 1 0 108248 1 0 110249 1 0 110250 1 0 114251 1 0 115252 1 1 116253 1 0 116254 1 0 117255 1 0 118256 1 0 118257 1 0 120258 1 0 121259 1 0 122260 1 0 123261 1 0 124262 1 0 125263 1 6 126264 1 0 126265 1 0 126266 1 0 127267 1 0 127268 1 0 127269 1 0 M END PDB for NP0023665 (Trichorzin PA IX)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 3.374 -1.428 3.400 0.00 0.00 C+0 HETATM 2 C UNK 0 2.484 -0.417 4.071 0.00 0.00 C+0 HETATM 3 C UNK 0 1.226 -0.133 3.306 0.00 0.00 C+0 HETATM 4 C UNK 0 0.482 0.926 4.180 0.00 0.00 C+0 HETATM 5 N UNK 0 1.480 0.496 2.031 0.00 0.00 N+0 HETATM 6 C UNK 0 1.957 1.820 1.897 0.00 0.00 C+0 HETATM 7 O UNK 0 2.145 2.522 2.915 0.00 0.00 O+0 HETATM 8 C UNK 0 2.241 2.417 0.583 0.00 0.00 C+0 HETATM 9 C UNK 0 1.836 1.478 -0.513 0.00 0.00 C+0 HETATM 10 N UNK 0 1.711 3.744 0.358 0.00 0.00 N+0 HETATM 11 C UNK 0 0.308 3.973 0.199 0.00 0.00 C+0 HETATM 12 O UNK 0 -0.459 2.991 0.324 0.00 0.00 O+0 HETATM 13 C UNK 0 -0.299 5.269 -0.131 0.00 0.00 C+0 HETATM 14 C UNK 0 0.584 6.046 -1.121 0.00 0.00 C+0 HETATM 15 O UNK 0 1.790 6.375 -0.556 0.00 0.00 O+0 HETATM 16 N UNK 0 -1.533 5.013 -0.873 0.00 0.00 N+0 HETATM 17 C UNK 0 -2.300 5.903 -1.575 0.00 0.00 C+0 HETATM 18 O UNK 0 -2.090 7.130 -1.705 0.00 0.00 O+0 HETATM 19 C UNK 0 -3.537 5.424 -2.318 0.00 0.00 C+0 HETATM 20 C UNK 0 -3.727 3.935 -2.208 0.00 0.00 C+0 HETATM 21 C UNK 0 -4.743 6.085 -1.616 0.00 0.00 C+0 HETATM 22 N UNK 0 -3.480 5.885 -3.651 0.00 0.00 N+0 HETATM 23 C UNK 0 -3.579 7.185 -4.176 0.00 0.00 C+0 HETATM 24 C UNK 0 -3.462 7.359 -5.653 0.00 0.00 C+0 HETATM 25 O UNK 0 -3.749 8.179 -3.441 0.00 0.00 O+0 HETATM 26 C UNK 0 0.265 -1.226 3.158 0.00 0.00 C+0 HETATM 27 O UNK 0 -0.640 -0.990 2.260 0.00 0.00 O+0 HETATM 28 N UNK 0 0.165 -2.472 3.815 0.00 0.00 N+0 HETATM 29 C UNK 0 -0.936 -3.385 3.455 0.00 0.00 C+0 HETATM 30 C UNK 0 -0.747 -4.672 4.276 0.00 0.00 C+0 HETATM 31 C UNK 0 -0.908 -3.704 2.026 0.00 0.00 C+0 HETATM 32 C UNK 0 0.442 -4.341 1.708 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.198 -2.774 3.981 0.00 0.00 C+0 HETATM 34 O UNK 0 -2.250 -2.468 5.210 0.00 0.00 O+0 HETATM 35 N UNK 0 -3.296 -2.515 3.162 0.00 0.00 N+0 HETATM 36 C UNK 0 -4.525 -1.879 3.724 0.00 0.00 C+0 HETATM 37 C UNK 0 -5.448 -1.573 2.652 0.00 0.00 C+0 HETATM 38 C UNK 0 -6.755 -0.933 2.935 0.00 0.00 C+0 HETATM 39 C UNK 0 -7.654 -1.685 3.842 0.00 0.00 C+0 HETATM 40 N UNK 0 -8.938 -1.136 4.141 0.00 0.00 N+0 HETATM 41 O UNK 0 -7.311 -2.764 4.328 0.00 0.00 O+0 HETATM 42 C UNK 0 -4.030 -0.622 4.430 0.00 0.00 C+0 HETATM 43 O UNK 0 -2.855 -0.303 4.254 0.00 0.00 O+0 HETATM 44 N UNK 0 -4.914 0.108 5.259 0.00 0.00 N+0 HETATM 45 C UNK 0 -4.477 1.251 6.017 0.00 0.00 C+0 HETATM 46 C UNK 0 -3.505 0.679 7.126 0.00 0.00 C+0 HETATM 47 C UNK 0 -5.612 1.894 6.782 0.00 0.00 C+0 HETATM 48 C UNK 0 -3.731 2.296 5.318 0.00 0.00 C+0 HETATM 49 O UNK 0 -3.490 2.228 4.104 0.00 0.00 O+0 HETATM 50 N UNK 0 -3.234 3.450 6.044 0.00 0.00 N+0 HETATM 51 C UNK 0 -2.454 4.505 5.424 0.00 0.00 C+0 HETATM 52 C UNK 0 -1.082 4.490 6.064 0.00 0.00 C+0 HETATM 53 O UNK 0 -0.991 3.958 7.196 0.00 0.00 O+0 HETATM 54 N UNK 0 0.001 5.033 5.390 0.00 0.00 N+0 HETATM 55 C UNK 0 1.385 5.066 5.825 0.00 0.00 C+0 HETATM 56 C UNK 0 1.432 6.010 7.032 0.00 0.00 C+0 HETATM 57 C UNK 0 1.894 3.750 6.329 0.00 0.00 C+0 HETATM 58 C UNK 0 2.224 5.660 4.745 0.00 0.00 C+0 HETATM 59 O UNK 0 1.903 6.761 4.276 0.00 0.00 O+0 HETATM 60 N UNK 0 3.373 4.984 4.208 0.00 0.00 N+0 HETATM 61 C UNK 0 4.122 5.571 3.108 0.00 0.00 C+0 HETATM 62 C UNK 0 5.003 4.582 2.399 0.00 0.00 C+0 HETATM 63 O UNK 0 5.494 5.050 1.311 0.00 0.00 O+0 HETATM 64 N UNK 0 5.291 3.290 2.782 0.00 0.00 N+0 HETATM 65 C UNK 0 5.980 2.217 2.136 0.00 0.00 C+0 HETATM 66 C UNK 0 6.913 1.560 3.080 0.00 0.00 C+0 HETATM 67 C UNK 0 7.715 0.411 2.595 0.00 0.00 C+0 HETATM 68 C UNK 0 8.557 -0.072 3.803 0.00 0.00 C+0 HETATM 69 C UNK 0 8.761 0.760 1.548 0.00 0.00 C+0 HETATM 70 C UNK 0 6.731 2.789 0.911 0.00 0.00 C+0 HETATM 71 O UNK 0 7.545 3.692 1.174 0.00 0.00 O+0 HETATM 72 N UNK 0 6.394 2.235 -0.321 0.00 0.00 N+0 HETATM 73 C UNK 0 6.825 2.451 -1.626 0.00 0.00 C+0 HETATM 74 C UNK 0 7.446 3.900 -1.618 0.00 0.00 C+0 HETATM 75 C UNK 0 7.808 1.516 -2.163 0.00 0.00 C+0 HETATM 76 C UNK 0 5.614 2.724 -2.481 0.00 0.00 C+0 HETATM 77 O UNK 0 4.927 3.684 -1.898 0.00 0.00 O+0 HETATM 78 N UNK 0 5.157 2.188 -3.638 0.00 0.00 N+0 HETATM 79 C UNK 0 3.982 2.771 -4.379 0.00 0.00 C+0 HETATM 80 C UNK 0 4.318 2.661 -5.824 0.00 0.00 C+0 HETATM 81 C UNK 0 5.272 1.492 -5.838 0.00 0.00 C+0 HETATM 82 C UNK 0 5.343 0.961 -4.451 0.00 0.00 C+0 HETATM 83 C UNK 0 4.219 0.062 -4.084 0.00 0.00 C+0 HETATM 84 O UNK 0 3.770 0.297 -2.877 0.00 0.00 O+0 HETATM 85 N UNK 0 3.574 -0.952 -4.784 0.00 0.00 N+0 HETATM 86 C UNK 0 2.464 -1.625 -4.100 0.00 0.00 C+0 HETATM 87 C UNK 0 2.549 -3.114 -4.127 0.00 0.00 C+0 HETATM 88 C UNK 0 3.772 -3.688 -3.496 0.00 0.00 C+0 HETATM 89 C UNK 0 3.655 -5.210 -3.630 0.00 0.00 C+0 HETATM 90 C UNK 0 3.816 -3.378 -1.992 0.00 0.00 C+0 HETATM 91 C UNK 0 1.159 -1.178 -4.644 0.00 0.00 C+0 HETATM 92 O UNK 0 0.921 -1.146 -5.869 0.00 0.00 O+0 HETATM 93 N UNK 0 0.116 -0.759 -3.752 0.00 0.00 N+0 HETATM 94 C UNK 0 -1.165 -0.322 -4.213 0.00 0.00 C+0 HETATM 95 C UNK 0 -1.098 0.721 -5.259 0.00 0.00 C+0 HETATM 96 C UNK 0 -1.732 0.474 -2.950 0.00 0.00 C+0 HETATM 97 C UNK 0 -2.126 -1.377 -4.419 0.00 0.00 C+0 HETATM 98 O UNK 0 -2.028 -2.397 -3.639 0.00 0.00 O+0 HETATM 99 N UNK 0 -3.163 -1.420 -5.373 0.00 0.00 N+0 HETATM 100 C UNK 0 -4.062 -2.578 -5.378 0.00 0.00 C+0 HETATM 101 C UNK 0 -4.847 -2.700 -4.126 0.00 0.00 C+0 HETATM 102 C UNK 0 -5.030 -2.466 -6.559 0.00 0.00 C+0 HETATM 103 C UNK 0 -3.296 -3.862 -5.603 0.00 0.00 C+0 HETATM 104 O UNK 0 -2.535 -3.907 -6.574 0.00 0.00 O+0 HETATM 105 N UNK 0 -3.465 -4.937 -4.718 0.00 0.00 N+0 HETATM 106 C UNK 0 -2.793 -6.221 -4.852 0.00 0.00 C+0 HETATM 107 C UNK 0 -1.317 -6.151 -4.923 0.00 0.00 C+0 HETATM 108 C UNK 0 -0.654 -7.398 -5.364 0.00 0.00 C+0 HETATM 109 C UNK 0 -0.900 -8.698 -4.834 0.00 0.00 C+0 HETATM 110 N UNK 0 0.137 -9.586 -4.351 0.00 0.00 N+0 HETATM 111 O UNK 0 -2.080 -9.179 -4.758 0.00 0.00 O+0 HETATM 112 C UNK 0 -3.151 -6.875 -3.507 0.00 0.00 C+0 HETATM 113 O UNK 0 -4.388 -6.906 -3.272 0.00 0.00 O+0 HETATM 114 N UNK 0 -2.277 -7.383 -2.561 0.00 0.00 N+0 HETATM 115 C UNK 0 -2.789 -7.915 -1.307 0.00 0.00 C+0 HETATM 116 C UNK 0 -2.015 -7.410 -0.140 0.00 0.00 C+0 HETATM 117 O UNK 0 -0.672 -7.771 -0.220 0.00 0.00 O+0 HETATM 118 C UNK 0 -2.911 -9.402 -1.290 0.00 0.00 C+0 HETATM 119 C UNK 0 -3.445 -9.801 0.076 0.00 0.00 C+0 HETATM 120 C UNK 0 -2.603 -10.173 1.081 0.00 0.00 C+0 HETATM 121 C UNK 0 -3.087 -10.482 2.337 0.00 0.00 C+0 HETATM 122 C UNK 0 -4.444 -10.419 2.595 0.00 0.00 C+0 HETATM 123 C UNK 0 -5.290 -10.041 1.562 0.00 0.00 C+0 HETATM 124 C UNK 0 -4.798 -9.733 0.308 0.00 0.00 C+0 HETATM 125 C UNK 0 -3.131 5.835 5.561 0.00 0.00 C+0 HETATM 126 C UNK 0 -3.345 6.268 6.992 0.00 0.00 C+0 HETATM 127 C UNK 0 -2.470 6.926 4.781 0.00 0.00 C+0 HETATM 128 H UNK 0 4.363 -0.945 3.220 0.00 0.00 H+0 HETATM 129 H UNK 0 3.005 -1.770 2.412 0.00 0.00 H+0 HETATM 130 H UNK 0 3.563 -2.311 4.061 0.00 0.00 H+0 HETATM 131 H UNK 0 2.203 -0.744 5.083 0.00 0.00 H+0 HETATM 132 H UNK 0 3.021 0.566 4.147 0.00 0.00 H+0 HETATM 133 H UNK 0 0.117 1.727 3.508 0.00 0.00 H+0 HETATM 134 H UNK 0 -0.414 0.418 4.577 0.00 0.00 H+0 HETATM 135 H UNK 0 1.135 1.284 5.005 0.00 0.00 H+0 HETATM 136 H UNK 0 1.316 -0.059 1.163 0.00 0.00 H+0 HETATM 137 H UNK 0 3.374 2.464 0.513 0.00 0.00 H+0 HETATM 138 H UNK 0 2.444 0.538 -0.438 0.00 0.00 H+0 HETATM 139 H UNK 0 2.045 2.002 -1.474 0.00 0.00 H+0 HETATM 140 H UNK 0 0.797 1.199 -0.408 0.00 0.00 H+0 HETATM 141 H UNK 0 2.366 4.533 0.336 0.00 0.00 H+0 HETATM 142 H UNK 0 -0.512 5.980 0.644 0.00 0.00 H+0 HETATM 143 H UNK 0 0.725 5.476 -2.041 0.00 0.00 H+0 HETATM 144 H UNK 0 0.034 6.997 -1.397 0.00 0.00 H+0 HETATM 145 H UNK 0 2.324 6.848 -1.237 0.00 0.00 H+0 HETATM 146 H UNK 0 -1.877 3.989 -0.834 0.00 0.00 H+0 HETATM 147 H UNK 0 -4.364 3.610 -3.099 0.00 0.00 H+0 HETATM 148 H UNK 0 -4.203 3.595 -1.284 0.00 0.00 H+0 HETATM 149 H UNK 0 -2.764 3.423 -2.406 0.00 0.00 H+0 HETATM 150 H UNK 0 -4.379 6.907 -0.972 0.00 0.00 H+0 HETATM 151 H UNK 0 -5.316 5.315 -1.036 0.00 0.00 H+0 HETATM 152 H UNK 0 -5.445 6.506 -2.365 0.00 0.00 H+0 HETATM 153 H UNK 0 -3.337 5.082 -4.394 0.00 0.00 H+0 HETATM 154 H UNK 0 -4.071 6.529 -6.122 0.00 0.00 H+0 HETATM 155 H UNK 0 -2.387 7.157 -5.947 0.00 0.00 H+0 HETATM 156 H UNK 0 -3.766 8.348 -6.004 0.00 0.00 H+0 HETATM 157 H UNK 0 0.834 -2.740 4.533 0.00 0.00 H+0 HETATM 158 H UNK 0 0.300 -4.670 4.642 0.00 0.00 H+0 HETATM 159 H UNK 0 -1.432 -4.705 5.148 0.00 0.00 H+0 HETATM 160 H UNK 0 -0.917 -5.573 3.683 0.00 0.00 H+0 HETATM 161 H UNK 0 -1.642 -4.581 1.856 0.00 0.00 H+0 HETATM 162 H UNK 0 -1.168 -2.907 1.332 0.00 0.00 H+0 HETATM 163 H UNK 0 1.207 -4.040 2.455 0.00 0.00 H+0 HETATM 164 H UNK 0 0.760 -3.869 0.727 0.00 0.00 H+0 HETATM 165 H UNK 0 0.420 -5.430 1.652 0.00 0.00 H+0 HETATM 166 H UNK 0 -3.303 -2.754 2.164 0.00 0.00 H+0 HETATM 167 H UNK 0 -4.938 -2.496 4.537 0.00 0.00 H+0 HETATM 168 H UNK 0 -5.699 -2.488 2.010 0.00 0.00 H+0 HETATM 169 H UNK 0 -4.928 -0.892 1.878 0.00 0.00 H+0 HETATM 170 H UNK 0 -6.622 0.146 3.241 0.00 0.00 H+0 HETATM 171 H UNK 0 -7.347 -0.820 1.949 0.00 0.00 H+0 HETATM 172 H UNK 0 -9.190 -0.179 3.841 0.00 0.00 H+0 HETATM 173 H UNK 0 -9.615 -1.718 4.660 0.00 0.00 H+0 HETATM 174 H UNK 0 -5.902 -0.176 5.367 0.00 0.00 H+0 HETATM 175 H UNK 0 -3.504 1.442 7.909 0.00 0.00 H+0 HETATM 176 H UNK 0 -4.088 -0.203 7.512 0.00 0.00 H+0 HETATM 177 H UNK 0 -2.556 0.407 6.685 0.00 0.00 H+0 HETATM 178 H UNK 0 -5.692 1.456 7.795 0.00 0.00 H+0 HETATM 179 H UNK 0 -6.563 1.765 6.185 0.00 0.00 H+0 HETATM 180 H UNK 0 -5.443 2.992 6.922 0.00 0.00 H+0 HETATM 181 H UNK 0 -3.470 3.491 7.052 0.00 0.00 H+0 HETATM 182 H UNK 0 -2.303 4.282 4.356 0.00 0.00 H+0 HETATM 183 H UNK 0 -0.189 5.473 4.429 0.00 0.00 H+0 HETATM 184 H UNK 0 0.575 5.796 7.730 0.00 0.00 H+0 HETATM 185 H UNK 0 2.396 5.890 7.560 0.00 0.00 H+0 HETATM 186 H UNK 0 1.377 7.048 6.678 0.00 0.00 H+0 HETATM 187 H UNK 0 1.098 3.204 6.870 0.00 0.00 H+0 HETATM 188 H UNK 0 2.692 3.898 7.119 0.00 0.00 H+0 HETATM 189 H UNK 0 2.372 3.155 5.554 0.00 0.00 H+0 HETATM 190 H UNK 0 3.669 4.096 4.606 0.00 0.00 H+0 HETATM 191 H UNK 0 4.756 6.402 3.543 0.00 0.00 H+0 HETATM 192 H UNK 0 3.415 6.045 2.425 0.00 0.00 H+0 HETATM 193 H UNK 0 4.938 3.008 3.766 0.00 0.00 H+0 HETATM 194 H UNK 0 5.228 1.499 1.676 0.00 0.00 H+0 HETATM 195 H UNK 0 7.663 2.318 3.504 0.00 0.00 H+0 HETATM 196 H UNK 0 6.309 1.285 3.992 0.00 0.00 H+0 HETATM 197 H UNK 0 7.119 -0.451 2.284 0.00 0.00 H+0 HETATM 198 H UNK 0 9.060 0.835 4.185 0.00 0.00 H+0 HETATM 199 H UNK 0 9.377 -0.729 3.452 0.00 0.00 H+0 HETATM 200 H UNK 0 7.950 -0.477 4.606 0.00 0.00 H+0 HETATM 201 H UNK 0 9.280 1.716 1.737 0.00 0.00 H+0 HETATM 202 H UNK 0 8.384 0.629 0.522 0.00 0.00 H+0 HETATM 203 H UNK 0 9.621 0.007 1.609 0.00 0.00 H+0 HETATM 204 H UNK 0 5.609 1.467 -0.251 0.00 0.00 H+0 HETATM 205 H UNK 0 7.583 4.120 -2.673 0.00 0.00 H+0 HETATM 206 H UNK 0 6.659 4.569 -1.215 0.00 0.00 H+0 HETATM 207 H UNK 0 8.382 3.914 -1.067 0.00 0.00 H+0 HETATM 208 H UNK 0 8.056 1.744 -3.234 0.00 0.00 H+0 HETATM 209 H UNK 0 8.807 1.555 -1.643 0.00 0.00 H+0 HETATM 210 H UNK 0 7.446 0.451 -2.151 0.00 0.00 H+0 HETATM 211 H UNK 0 3.070 2.204 -4.095 0.00 0.00 H+0 HETATM 212 H UNK 0 3.836 3.825 -4.095 0.00 0.00 H+0 HETATM 213 H UNK 0 3.410 2.449 -6.460 0.00 0.00 H+0 HETATM 214 H UNK 0 4.748 3.588 -6.261 0.00 0.00 H+0 HETATM 215 H UNK 0 5.016 0.757 -6.627 0.00 0.00 H+0 HETATM 216 H UNK 0 6.269 1.895 -6.115 0.00 0.00 H+0 HETATM 217 H UNK 0 6.316 0.532 -4.234 0.00 0.00 H+0 HETATM 218 H UNK 0 3.812 -1.251 -5.724 0.00 0.00 H+0 HETATM 219 H UNK 0 2.481 -1.287 -3.025 0.00 0.00 H+0 HETATM 220 H UNK 0 1.673 -3.559 -3.579 0.00 0.00 H+0 HETATM 221 H UNK 0 2.414 -3.455 -5.193 0.00 0.00 H+0 HETATM 222 H UNK 0 4.724 -3.344 -3.919 0.00 0.00 H+0 HETATM 223 H UNK 0 2.746 -5.457 -3.014 0.00 0.00 H+0 HETATM 224 H UNK 0 3.441 -5.524 -4.656 0.00 0.00 H+0 HETATM 225 H UNK 0 4.520 -5.689 -3.156 0.00 0.00 H+0 HETATM 226 H UNK 0 3.802 -2.301 -1.886 0.00 0.00 H+0 HETATM 227 H UNK 0 2.942 -3.904 -1.550 0.00 0.00 H+0 HETATM 228 H UNK 0 4.766 -3.858 -1.626 0.00 0.00 H+0 HETATM 229 H UNK 0 0.341 -0.793 -2.728 0.00 0.00 H+0 HETATM 230 H UNK 0 -2.031 1.346 -5.185 0.00 0.00 H+0 HETATM 231 H UNK 0 -0.992 0.266 -6.247 0.00 0.00 H+0 HETATM 232 H UNK 0 -0.223 1.382 -5.055 0.00 0.00 H+0 HETATM 233 H UNK 0 -2.619 1.001 -3.282 0.00 0.00 H+0 HETATM 234 H UNK 0 -1.950 -0.347 -2.245 0.00 0.00 H+0 HETATM 235 H UNK 0 -0.889 1.050 -2.598 0.00 0.00 H+0 HETATM 236 H UNK 0 -3.324 -0.676 -6.071 0.00 0.00 H+0 HETATM 237 H UNK 0 -4.281 -2.937 -3.208 0.00 0.00 H+0 HETATM 238 H UNK 0 -5.616 -3.520 -4.258 0.00 0.00 H+0 HETATM 239 H UNK 0 -5.498 -1.783 -3.950 0.00 0.00 H+0 HETATM 240 H UNK 0 -4.512 -2.014 -7.430 0.00 0.00 H+0 HETATM 241 H UNK 0 -5.333 -3.493 -6.834 0.00 0.00 H+0 HETATM 242 H UNK 0 -5.933 -1.869 -6.260 0.00 0.00 H+0 HETATM 243 H UNK 0 -4.116 -4.805 -3.910 0.00 0.00 H+0 HETATM 244 H UNK 0 -3.164 -6.796 -5.671 0.00 0.00 H+0 HETATM 245 H UNK 0 -0.892 -5.887 -3.905 0.00 0.00 H+0 HETATM 246 H UNK 0 -1.025 -5.319 -5.609 0.00 0.00 H+0 HETATM 247 H UNK 0 -0.749 -7.417 -6.517 0.00 0.00 H+0 HETATM 248 H UNK 0 0.492 -7.213 -5.299 0.00 0.00 H+0 HETATM 249 H UNK 0 0.563 -9.502 -3.405 0.00 0.00 H+0 HETATM 250 H UNK 0 0.477 -10.328 -4.982 0.00 0.00 H+0 HETATM 251 H UNK 0 -1.238 -7.384 -2.627 0.00 0.00 H+0 HETATM 252 H UNK 0 -3.855 -7.533 -1.195 0.00 0.00 H+0 HETATM 253 H UNK 0 -2.450 -7.762 0.802 0.00 0.00 H+0 HETATM 254 H UNK 0 -2.058 -6.286 -0.082 0.00 0.00 H+0 HETATM 255 H UNK 0 -0.321 -8.071 0.665 0.00 0.00 H+0 HETATM 256 H UNK 0 -1.971 -9.961 -1.409 0.00 0.00 H+0 HETATM 257 H UNK 0 -3.648 -9.783 -2.008 0.00 0.00 H+0 HETATM 258 H UNK 0 -1.520 -10.245 0.896 0.00 0.00 H+0 HETATM 259 H UNK 0 -2.399 -10.783 3.124 0.00 0.00 H+0 HETATM 260 H UNK 0 -4.821 -10.665 3.584 0.00 0.00 H+0 HETATM 261 H UNK 0 -6.356 -9.969 1.715 0.00 0.00 H+0 HETATM 262 H UNK 0 -5.474 -9.434 -0.499 0.00 0.00 H+0 HETATM 263 H UNK 0 -4.152 5.709 5.127 0.00 0.00 H+0 HETATM 264 H UNK 0 -3.287 7.390 7.024 0.00 0.00 H+0 HETATM 265 H UNK 0 -2.567 5.901 7.687 0.00 0.00 H+0 HETATM 266 H UNK 0 -4.352 6.019 7.386 0.00 0.00 H+0 HETATM 267 H UNK 0 -1.554 7.319 5.277 0.00 0.00 H+0 HETATM 268 H UNK 0 -3.152 7.817 4.709 0.00 0.00 H+0 HETATM 269 H UNK 0 -2.238 6.547 3.782 0.00 0.00 H+0 CONECT 1 2 128 129 130 CONECT 2 1 3 131 132 CONECT 3 2 4 5 26 CONECT 4 3 133 134 135 CONECT 5 3 6 136 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 10 137 CONECT 9 8 138 139 140 CONECT 10 8 11 141 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 16 142 CONECT 14 13 15 143 144 CONECT 15 14 145 CONECT 16 13 17 146 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 21 22 CONECT 20 19 147 148 149 CONECT 21 19 150 151 152 CONECT 22 19 23 153 CONECT 23 22 24 25 CONECT 24 23 154 155 156 CONECT 25 23 CONECT 26 3 27 28 CONECT 27 26 CONECT 28 26 29 157 CONECT 29 28 30 31 33 CONECT 30 29 158 159 160 CONECT 31 29 32 161 162 CONECT 32 31 163 164 165 CONECT 33 29 34 35 CONECT 34 33 CONECT 35 33 36 166 CONECT 36 35 37 42 167 CONECT 37 36 38 168 169 CONECT 38 37 39 170 171 CONECT 39 38 40 41 CONECT 40 39 172 173 CONECT 41 39 CONECT 42 36 43 44 CONECT 43 42 CONECT 44 42 45 174 CONECT 45 44 46 47 48 CONECT 46 45 175 176 177 CONECT 47 45 178 179 180 CONECT 48 45 49 50 CONECT 49 48 CONECT 50 48 51 181 CONECT 51 50 52 125 182 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 183 CONECT 55 54 56 57 58 CONECT 56 55 184 185 186 CONECT 57 55 187 188 189 CONECT 58 55 59 60 CONECT 59 58 CONECT 60 58 61 190 CONECT 61 60 62 191 192 CONECT 62 61 63 64 CONECT 63 62 CONECT 64 62 65 193 CONECT 65 64 66 70 194 CONECT 66 65 67 195 196 CONECT 67 66 68 69 197 CONECT 68 67 198 199 200 CONECT 69 67 201 202 203 CONECT 70 65 71 72 CONECT 71 70 CONECT 72 70 73 204 CONECT 73 72 74 75 76 CONECT 74 73 205 206 207 CONECT 75 73 208 209 210 CONECT 76 73 77 78 CONECT 77 76 CONECT 78 76 79 82 CONECT 79 78 80 211 212 CONECT 80 79 81 213 214 CONECT 81 80 82 215 216 CONECT 82 81 83 78 217 CONECT 83 82 84 85 CONECT 84 83 CONECT 85 83 86 218 CONECT 86 85 87 91 219 CONECT 87 86 88 220 221 CONECT 88 87 89 90 222 CONECT 89 88 223 224 225 CONECT 90 88 226 227 228 CONECT 91 86 92 93 CONECT 92 91 CONECT 93 91 94 229 CONECT 94 93 95 96 97 CONECT 95 94 230 231 232 CONECT 96 94 233 234 235 CONECT 97 94 98 99 CONECT 98 97 CONECT 99 97 100 236 CONECT 100 99 101 102 103 CONECT 101 100 237 238 239 CONECT 102 100 240 241 242 CONECT 103 100 104 105 CONECT 104 103 CONECT 105 103 106 243 CONECT 106 105 107 112 244 CONECT 107 106 108 245 246 CONECT 108 107 109 247 248 CONECT 109 108 110 111 CONECT 110 109 249 250 CONECT 111 109 CONECT 112 106 113 114 CONECT 113 112 CONECT 114 112 115 251 CONECT 115 114 116 118 252 CONECT 116 115 117 253 254 CONECT 117 116 255 CONECT 118 115 119 256 257 CONECT 119 118 120 124 CONECT 120 119 121 258 CONECT 121 120 122 259 CONECT 122 121 123 260 CONECT 123 122 124 261 CONECT 124 123 119 262 CONECT 125 51 126 127 263 CONECT 126 125 264 265 266 CONECT 127 125 267 268 269 CONECT 128 1 CONECT 129 1 CONECT 130 1 CONECT 131 2 CONECT 132 2 CONECT 133 4 CONECT 134 4 CONECT 135 4 CONECT 136 5 CONECT 137 8 CONECT 138 9 CONECT 139 9 CONECT 140 9 CONECT 141 10 CONECT 142 13 CONECT 143 14 CONECT 144 14 CONECT 145 15 CONECT 146 16 CONECT 147 20 CONECT 148 20 CONECT 149 20 CONECT 150 21 CONECT 151 21 CONECT 152 21 CONECT 153 22 CONECT 154 24 CONECT 155 24 CONECT 156 24 CONECT 157 28 CONECT 158 30 CONECT 159 30 CONECT 160 30 CONECT 161 31 CONECT 162 31 CONECT 163 32 CONECT 164 32 CONECT 165 32 CONECT 166 35 CONECT 167 36 CONECT 168 37 CONECT 169 37 CONECT 170 38 CONECT 171 38 CONECT 172 40 CONECT 173 40 CONECT 174 44 CONECT 175 46 CONECT 176 46 CONECT 177 46 CONECT 178 47 CONECT 179 47 CONECT 180 47 CONECT 181 50 CONECT 182 51 CONECT 183 54 CONECT 184 56 CONECT 185 56 CONECT 186 56 CONECT 187 57 CONECT 188 57 CONECT 189 57 CONECT 190 60 CONECT 191 61 CONECT 192 61 CONECT 193 64 CONECT 194 65 CONECT 195 66 CONECT 196 66 CONECT 197 67 CONECT 198 68 CONECT 199 68 CONECT 200 68 CONECT 201 69 CONECT 202 69 CONECT 203 69 CONECT 204 72 CONECT 205 74 CONECT 206 74 CONECT 207 74 CONECT 208 75 CONECT 209 75 CONECT 210 75 CONECT 211 79 CONECT 212 79 CONECT 213 80 CONECT 214 80 CONECT 215 81 CONECT 216 81 CONECT 217 82 CONECT 218 85 CONECT 219 86 CONECT 220 87 CONECT 221 87 CONECT 222 88 CONECT 223 89 CONECT 224 89 CONECT 225 89 CONECT 226 90 CONECT 227 90 CONECT 228 90 CONECT 229 93 CONECT 230 95 CONECT 231 95 CONECT 232 95 CONECT 233 96 CONECT 234 96 CONECT 235 96 CONECT 236 99 CONECT 237 101 CONECT 238 101 CONECT 239 101 CONECT 240 102 CONECT 241 102 CONECT 242 102 CONECT 243 105 CONECT 244 106 CONECT 245 107 CONECT 246 107 CONECT 247 108 CONECT 248 108 CONECT 249 110 CONECT 250 110 CONECT 251 114 CONECT 252 115 CONECT 253 116 CONECT 254 116 CONECT 255 117 CONECT 256 118 CONECT 257 118 CONECT 258 120 CONECT 259 121 CONECT 260 122 CONECT 261 123 CONECT 262 124 CONECT 263 125 CONECT 264 126 CONECT 265 126 CONECT 266 126 CONECT 267 127 CONECT 268 127 CONECT 269 127 MASTER 0 0 0 0 0 0 0 0 269 0 540 0 END SMILES for NP0023665 (Trichorzin PA IX)[H]OC([H])([H])[C@@]([H])(N([H])C(=O)C(N([H])C(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@](C(=O)N([H])[C@](C(=O)N([H])[C@@]([H])(C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])C(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])C(C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])O[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0023665 (Trichorzin PA IX)InChI=1S/C85H142N20O22/c1-25-84(23,104-76(126)85(24,26-2)102-62(112)48(9)89-64(114)56(44-107)95-71(121)79(13,14)97-49(10)108)75(125)94-53(35-37-59(87)110)65(115)98-80(15,16)73(123)96-61(47(7)8)69(119)101-78(11,12)70(120)88-42-60(111)91-54(39-45(3)4)66(116)100-83(21,22)77(127)105-38-30-33-57(105)68(118)92-55(40-46(5)6)67(117)99-82(19,20)74(124)103-81(17,18)72(122)93-52(34-36-58(86)109)63(113)90-51(43-106)41-50-31-28-27-29-32-50/h27-29,31-32,45-48,51-57,61,106-107H,25-26,30,33-44H2,1-24H3,(H2,86,109)(H2,87,110)(H,88,120)(H,89,114)(H,90,113)(H,91,111)(H,92,118)(H,93,122)(H,94,125)(H,95,121)(H,96,123)(H,97,108)(H,98,115)(H,99,117)(H,100,116)(H,101,119)(H,102,112)(H,103,124)(H,104,126)/t48-,51+,52+,53-,54-,55-,56-,57-,61+,84-,85-/m1/s1 3D Structure for NP0023665 (Trichorzin PA IX) | ||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
| ||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C85H142N20O22 | ||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1796.1890 Da | ||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1795.06076 Da | ||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2R)-N-(1-{[(1S)-1-({1-[({[(1R)-1-({1-[(2R)-2-{[(1R)-1-({1-[(1-{[(1S)-3-carbamoyl-1-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}propyl]carbamoyl}-1-methylethyl)carbamoyl]-1-methylethyl}carbamoyl)-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}methyl)carbamoyl]-1-methylethyl}carbamoyl)-2-methylpropyl]carbamoyl}-1-methylethyl)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-(2-acetamido-2-methylpropanamido)-3-hydroxypropanamido]propanamido]-2-methylbutanamido]-2-methylbutanamido]pentanediamide | ||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2R)-N-(1-{[(1S)-1-({1-[({[(1R)-1-({1-[(2R)-2-{[(1R)-1-({1-[(1-{[(1S)-3-carbamoyl-1-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}propyl]carbamoyl}-1-methylethyl)carbamoyl]-1-methylethyl}carbamoyl)-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}methyl)carbamoyl]-1-methylethyl}carbamoyl)-2-methylpropyl]carbamoyl}-1-methylethyl)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-(2-acetamido-2-methylpropanamido)-3-hydroxypropanamido]propanamido]-2-methylbutanamido]-2-methylbutanamido]pentanediamide | ||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCC(C)(NC(=O)C(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(C)=O)C(=O)NC(C)(CC)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC1=CC=CC=C1 | ||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C85H142N20O22/c1-25-84(23,104-76(126)85(24,26-2)102-62(112)48(9)89-64(114)56(44-107)95-71(121)79(13,14)97-49(10)108)75(125)94-53(35-37-59(87)110)65(115)98-80(15,16)73(123)96-61(47(7)8)69(119)101-78(11,12)70(120)88-42-60(111)91-54(39-45(3)4)66(116)100-83(21,22)77(127)105-38-30-33-57(105)68(118)92-55(40-46(5)6)67(117)99-82(19,20)74(124)103-81(17,18)72(122)93-52(34-36-58(86)109)63(113)90-51(43-106)41-50-31-28-27-29-32-50/h27-29,31-32,45-48,51-57,61,106-107H,25-26,30,33-44H2,1-24H3,(H2,86,109)(H2,87,110)(H,88,120)(H,89,114)(H,90,113)(H,91,111)(H,92,118)(H,93,122)(H,94,125)(H,95,121)(H,96,123)(H,97,108)(H,98,115)(H,99,117)(H,100,116)(H,101,119)(H,102,112)(H,103,124)(H,104,126) | ||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | LSUGDYLGJSFGHM-UHFFFAOYSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||
| |||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Shift Submissions | |||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||
Species | |||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
| ||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||
Description | Belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. | ||||||||||||||||||||||||||||||||||||||||||||||||
Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||
Super Class | Organic Polymers | ||||||||||||||||||||||||||||||||||||||||||||||||
Class | Polypeptides | ||||||||||||||||||||||||||||||||||||||||||||||||
Sub Class | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Direct Parent | Polypeptides | ||||||||||||||||||||||||||||||||||||||||||||||||
Alternative Parents |
| ||||||||||||||||||||||||||||||||||||||||||||||||
Substituents |
| ||||||||||||||||||||||||||||||||||||||||||||||||
Molecular Framework | Aromatic heteromonocyclic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||
External Descriptors | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||
External Links | |||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA004716 | ||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78443994 | ||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139584409 | ||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||
General References |
|