RDKit 3D 100100 0 0 0 0 0 0 0 0999 V2000 0.1704 -1.8137 -4.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6404 -0.5472 -4.7792 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9256 -0.3079 -6.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9313 -0.5935 -4.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 -0.9003 -2.6603 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4197 -0.8927 -2.2037 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7459 -1.4032 -0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8463 -1.8467 -0.1807 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1417 -1.4433 -0.4032 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0919 -0.6671 -1.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5188 -0.6680 -0.7500 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3300 0.1807 -1.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1067 -2.0459 -0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0487 -0.9686 0.9573 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9478 -1.7369 2.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9332 -2.9859 2.0656 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8553 -1.0740 3.4393 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8083 -2.0246 4.5265 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6156 -0.1886 3.4243 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4069 -1.0374 3.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 0.5172 4.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3557 0.1691 -1.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 0.8919 -1.0534 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0094 0.4401 -1.7759 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5892 1.4864 -0.8933 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2591 2.5070 -1.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2683 1.9731 -2.5612 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6016 0.8195 0.0216 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8630 -0.2451 0.6839 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0308 1.6578 1.1866 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9618 2.2506 1.8514 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2433 2.5005 1.0662 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5876 2.7777 2.4533 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4147 1.7627 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5726 1.5868 -0.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3980 1.2309 1.4115 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5642 0.5192 0.9594 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3602 -0.9872 0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5444 -1.7050 0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5722 -1.7512 1.1852 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5478 -2.3417 -0.7471 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8034 0.9296 1.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8222 1.1659 3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0089 1.5519 3.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1907 1.7177 2.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1664 1.4847 1.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9809 1.0986 0.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7227 -1.9771 -3.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3796 -2.7100 -5.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9784 -1.6611 -5.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0238 0.2947 -4.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -0.8860 -6.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9307 -0.7233 -6.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8493 0.7832 -6.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6596 -1.2802 -4.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4196 0.4237 -4.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -1.8389 -2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1884 -0.5201 -2.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4136 -2.5289 -0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 0.4136 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1122 -0.9929 -2.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6176 -0.1738 0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4194 -0.3333 -2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3831 0.2294 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9124 1.1854 -1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2280 -2.3374 0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0943 -2.0782 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4324 -2.7222 -1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0646 0.0970 1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7237 -0.4040 3.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8476 -2.2905 4.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3668 -1.6991 5.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7726 0.5649 2.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9852 -0.7854 2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5933 -2.1357 3.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -0.8056 3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8926 -0.1798 5.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3454 1.3092 4.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5505 0.9187 4.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6868 -0.0796 -2.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2096 1.9264 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4725 2.8747 -2.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 3.3646 -1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 2.0892 -3.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4379 0.3398 -0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7492 -0.9105 -0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3695 0.8511 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3009 2.5782 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0719 3.4561 0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0482 3.5789 2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2613 1.3662 2.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6680 0.7881 -0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 -1.2776 1.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5059 -1.2393 0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2089 -3.2509 -0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 1.0538 3.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0305 1.7368 4.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1203 2.0218 3.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0915 1.6100 0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0071 0.9221 -0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 9 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 5 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 37 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 42 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 1 3 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 6 6 58 1 0 9 59 1 1 10 60 1 0 10 61 1 0 11 62 1 1 12 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 13 67 1 0 13 68 1 0 14 69 1 0 17 70 1 1 18 71 1 0 18 72 1 0 19 73 1 6 20 74 1 0 20 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 21 79 1 0 24 80 1 0 25 81 1 1 26 82 1 0 26 83 1 0 27 84 1 0 28 85 1 6 29 86 1 0 30 87 1 1 31 88 1 0 32 89 1 6 33 90 1 0 36 91 1 0 37 92 1 6 38 93 1 0 38 94 1 0 41 95 1 0 43 96 1 0 44 97 1 0 45 98 1 0 46 99 1 0 47100 1 0 M END