RDKit 3D 182190 0 0 0 0 0 0 0 0999 V2000 -2.1330 -4.4678 -0.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1122 -3.2954 -0.3480 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9038 -2.1357 -0.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6791 -1.3142 -1.6787 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1332 -1.9330 -0.1204 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9655 -0.8768 -0.4124 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2286 -0.0712 0.7003 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7951 1.1397 0.3077 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7706 2.2036 1.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3851 2.0486 2.5227 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7219 2.0259 2.5790 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2378 2.9819 3.5063 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5564 3.2195 3.1311 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2731 3.7185 4.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1727 2.6996 5.3368 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2804 2.0719 2.5410 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.5032 2.2290 1.1537 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8509 2.2771 0.8288 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.1661 1.2817 -0.1214 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5496 1.2269 -0.2100 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.9935 0.1275 -1.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3801 0.1342 -1.2032 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1388 2.5162 -0.7656 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.5169 2.4078 -0.7018 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6778 3.6962 0.0563 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.0677 4.8475 -0.5965 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1581 3.6047 0.2071 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.7535 4.6975 0.9398 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7241 0.7057 2.8621 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.9385 -0.1038 1.7403 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2359 0.7068 3.1346 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5717 -0.3845 2.6551 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0274 0.9955 -0.4875 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4875 2.1875 -1.0076 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8444 -0.0434 -1.6037 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9306 -0.2326 -2.3819 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3070 -1.3330 -0.9302 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3299 -2.3793 -1.7947 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0588 -3.4860 -1.3048 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2523 -4.5751 -1.3248 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5635 -5.5995 -2.1690 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1524 -5.4283 -3.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7811 -5.2947 -3.7771 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9945 -6.0975 -2.0555 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0906 -7.0345 -1.0051 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9755 -5.0122 -1.8085 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0468 -5.1568 -2.6958 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3771 -3.6571 -2.0335 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2882 -2.7496 -1.4244 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0085 -3.5924 -1.2676 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4486 -5.0492 -0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -2.7920 -1.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2819 -1.3830 -1.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 -0.7323 -1.5643 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2575 0.7368 -1.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3711 -0.5128 -0.2901 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6125 -1.7157 0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 -1.3107 1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3331 -0.0940 0.8909 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8309 -0.0410 0.8313 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4412 -0.1756 2.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9089 -0.1495 1.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4653 0.5885 1.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9334 0.5545 0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4400 1.9735 1.0781 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4666 2.1397 0.1706 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7381 2.1737 0.5916 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5110 3.2267 0.1111 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7077 3.2287 0.8148 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4762 4.5204 0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7968 4.7357 -0.7332 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5634 2.0377 0.5058 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8862 1.2983 1.6367 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7988 1.1371 -0.4382 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8266 1.7178 -1.6997 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4014 0.8981 0.0192 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3551 -0.1269 0.9774 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4347 3.0290 1.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1069 2.8886 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7290 1.4738 0.1776 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2394 1.3073 -1.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2348 1.2484 0.1945 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6389 1.3843 -1.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1405 1.1272 -1.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8516 -0.1904 -0.5502 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5545 -1.3656 -1.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6614 -5.4208 -0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4724 -4.4050 -1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9613 -4.2419 0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9029 -3.3268 0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4531 -0.2411 -1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0099 1.5122 -0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6855 2.4850 1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1815 3.1351 0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1836 2.1771 1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5555 4.0540 2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3281 3.8614 4.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7728 4.6506 4.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0745 2.4334 5.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3274 2.0551 2.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4914 2.1732 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0081 1.0704 0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6431 -0.8177 -0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6352 0.3450 -2.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7902 -0.2705 -0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8524 2.6231 -1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9747 3.2538 -0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1680 3.6081 1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3216 5.4601 -0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7698 3.6584 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6469 5.4925 0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2491 0.2057 3.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8128 -0.5476 1.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1151 0.7582 4.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1345 -1.0839 2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8317 0.5515 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7955 2.5272 -1.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9998 0.3214 -2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9918 0.5033 -3.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9183 -1.6073 -0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3737 -3.2767 -0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9457 -6.4853 -1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4294 -6.3901 -4.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6141 -4.5826 -4.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4829 -5.5203 -4.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2133 -6.6134 -3.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1779 -7.2937 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4161 -5.0971 -0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4505 -6.0626 -2.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3653 -3.3799 -3.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5723 -3.0683 -0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3881 -3.7244 -2.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 -5.1003 0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0879 -5.7834 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5158 -5.1439 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7497 -3.1139 -0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 -3.3114 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7962 -1.2154 -2.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7136 -0.7135 -0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2521 -1.0824 -2.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5919 1.4475 -1.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6265 0.9590 -2.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 0.8178 -1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9906 0.3015 0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7061 -1.8475 1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.6118 0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3611 -1.0503 2.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4854 -2.1328 1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 0.8328 1.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2906 -0.8553 0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1439 -1.1451 2.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1016 0.6005 2.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5653 -0.7874 2.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3546 -0.1618 1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2319 0.1436 -0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9934 1.9210 2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9323 2.0900 1.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4651 3.2000 1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4201 4.4260 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8998 5.3489 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9826 4.5188 -1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5047 2.3608 -0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3554 1.9124 2.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3054 0.1502 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3355 1.1748 -2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8180 0.5064 -0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0883 -0.7581 0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2707 3.3233 2.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8932 3.9767 0.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2973 3.2493 1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9730 3.5272 -0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0955 0.2668 -1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6957 2.0722 -1.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2985 1.6241 -1.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8099 2.0785 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7209 2.4366 -1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1663 0.7600 -1.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7348 1.3274 -2.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 1.9167 -0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 -1.9530 -1.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8539 -2.1272 -0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4773 -1.1185 -1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 51 50 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 78 1 0 78 79 1 0 79 80 1 0 80 81 1 6 80 82 1 0 82 83 1 0 83 84 1 0 84 85 1 0 85 86 1 6 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 69 72 1 0 72 73 1 0 72 74 1 0 74 75 1 0 74 76 1 0 76 77 1 0 50 2 1 0 2 1 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 16 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 8 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 41 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 85 56 1 0 76 67 1 0 37 6 1 0 48 39 1 0 85 59 1 0 31 11 1 0 82 60 1 0 27 18 1 0 80 63 1 0 51133 1 0 51134 1 0 51135 1 0 50132 1 6 52136 1 0 52137 1 0 53138 1 0 53139 1 0 54140 1 6 55141 1 0 55142 1 0 55143 1 0 56144 1 1 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 1 60150 1 6 61151 1 0 61152 1 0 62153 1 0 64154 1 0 64155 1 0 65156 1 1 78168 1 0 78169 1 0 79170 1 0 79171 1 0 81172 1 0 81173 1 0 81174 1 0 82175 1 1 83176 1 0 83177 1 0 84178 1 0 84179 1 0 86180 1 0 86181 1 0 86182 1 0 67157 1 1 69158 1 1 70159 1 0 70160 1 0 71161 1 0 72162 1 6 73163 1 0 74164 1 6 75165 1 0 76166 1 6 77167 1 0 2 90 1 1 1 87 1 0 1 88 1 0 1 89 1 0 6 91 1 6 8 92 1 6 9 93 1 0 9 94 1 0 11 95 1 6 13 96 1 6 14 97 1 0 14 98 1 0 15 99 1 0 16100 1 1 18101 1 1 20102 1 1 21103 1 0 21104 1 0 22105 1 0 23106 1 6 24107 1 0 25108 1 1 26109 1 0 27110 1 6 28111 1 0 29112 1 1 30113 1 0 31114 1 1 32115 1 0 33116 1 1 34117 1 0 35118 1 6 36119 1 0 37120 1 1 39121 1 1 41122 1 1 42123 1 0 42124 1 0 43125 1 0 44126 1 6 45127 1 0 46128 1 1 47129 1 0 48130 1 6 49131 1 0 M END