45254045 -OEChem-04262402472D 196200 0 1 0 0 0 0 0999 V2000 8.2537 1.4030 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6437 10.1478 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.7178 3.4030 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9236 6.9030 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9236 5.9030 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9236 5.9030 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2865 10.9138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1658 11.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0811 16.9959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5434 13.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8777 10.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2526 15.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2055 15.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6916 14.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8113 15.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0194 15.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6377 13.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 15.6639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 15.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1511 13.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0216 0.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7537 0.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7537 2.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7896 1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8113 16.4568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6556 2.9030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3255 5.4030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8075 13.8683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5734 13.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 13.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3998 12.2407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9811 14.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4602 11.8986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6941 12.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2151 15.4959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2151 16.4959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3491 14.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3491 16.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9453 16.9568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9922 10.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3831 16.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0793 16.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9453 17.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4098 9.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0009 9.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5512 14.4748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6774 13.9568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8113 18.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6774 16.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4329 13.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 17.2370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5434 12.4568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6774 17.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4289 12.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8113 15.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6774 14.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6774 11.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1880 15.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 18.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0171 16.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8113 12.4568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0171 16.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9453 11.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 15.6639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6344 17.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 14.9568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9453 10.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0793 12.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6980 13.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 13.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8831 13.4568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2133 11.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7492 13.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6152 13.4568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8831 12.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3472 12.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7343 14.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6152 12.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1152 14.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4812 11.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5216 1.4030 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3877 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0216 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6556 1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1197 1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1197 2.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9858 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7896 3.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9858 3.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8518 1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8518 2.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7896 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9236 2.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9236 4.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0576 3.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0576 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9236 5.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1915 4.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3901 14.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1560 13.0134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8834 13.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7601 14.1368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 13.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9824 12.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5637 14.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2911 15.3900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9351 11.5001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1115 12.7535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3841 12.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6781 15.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9512 16.0709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0391 15.5328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8121 14.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6591 14.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 17.4343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0391 17.5328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2092 17.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3816 10.7207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8845 10.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6028 10.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7333 18.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 17.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1481 14.9459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0113 9.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 9.1065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8084 9.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 9.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 8.9068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4759 8.9833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2099 18.9317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4128 18.9317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8894 16.3742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2879 17.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0433 13.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6442 14.5532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9641 11.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 17.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2879 17.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8894 18.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6357 12.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0402 13.0582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2788 11.4818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 11.4818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6660 14.8510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5829 15.7238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7100 15.6407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8572 18.3634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0978 18.8018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 18.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3271 15.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3192 12.8124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2144 14.5205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0727 16.2367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 17.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3972 17.8677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0616 17.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1381 15.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3253 10.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9453 10.3368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5653 10.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 13.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9100 14.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1154 13.9957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4859 13.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3462 13.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 16.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2133 11.3368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1477 14.4317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3506 14.4317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2141 13.2963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2631 12.4568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8831 11.8368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 12.4568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3472 13.0768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3569 14.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2262 14.3533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1118 15.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0782 12.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6521 14.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4252 14.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5782 14.6328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1713 11.4198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9891 0.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7862 0.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5586 1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3316 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4847 2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3316 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1926 3.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5828 3.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9858 0.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9858 4.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3887 1.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3265 4.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9236 2.2830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5206 3.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 1 23 2 0 0 0 0 1 82 1 0 0 0 0 1 85 1 0 0 0 0 2 7 1 0 0 0 0 2 11 2 0 0 0 0 2 44 1 0 0 0 0 2 45 1 0 0 0 0 3 91 1 0 0 0 0 4 97 1 0 0 0 0 5 97 1 0 0 0 0 6 97 1 0 0 0 0 33 7 1 6 0 0 0 31 8 1 1 0 0 0 8 40 1 0 0 0 0 9 36 1 0 0 0 0 9 42 1 0 0 0 0 10 47 1 0 0 0 0 10 52 1 0 0 0 0 12 41 2 0 0 0 0 13 42 2 0 0 0 0 47 14 1 6 0 0 0 14152 1 0 0 0 0 15 55 2 0 0 0 0 16 56 2 0 0 0 0 61 17 1 1 0 0 0 17 69 1 0 0 0 0 64 18 1 6 0 0 0 18166 1 0 0 0 0 66 19 1 1 0 0 0 19 77 1 0 0 0 0 20 70 2 0 0 0 0 21 81 1 0 0 0 0 21188 1 0 0 0 0 24 84 2 0 0 0 0 25 39 1 0 0 0 0 25 49 1 0 0 0 0 25 55 1 0 0 0 0 26 84 1 0 0 0 0 26 88 1 0 0 0 0 26189 1 0 0 0 0 27 98 3 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 1 0 0 0 28 99 1 0 0 0 0 29 31 1 0 0 0 0 29100 1 0 0 0 0 29101 1 0 0 0 0 30 34 1 0 0 0 0 30102 1 0 0 0 0 30103 1 0 0 0 0 31 33 1 0 0 0 0 31104 1 0 0 0 0 32 35 1 0 0 0 0 32105 1 0 0 0 0 32106 1 0 0 0 0 33 34 1 0 0 0 0 33107 1 0 0 0 0 34108 1 0 0 0 0 34109 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 1 0 0 0 35110 1 0 0 0 0 36 38 1 0 0 0 0 36111 1 1 0 0 0 37112 1 0 0 0 0 37113 1 0 0 0 0 37114 1 0 0 0 0 38 41 1 0 0 0 0 38115 1 0 0 0 0 38116 1 0 0 0 0 39 42 1 0 0 0 0 39 43 1 0 0 0 0 39117 1 1 0 0 0 40118 1 0 0 0 0 40119 1 0 0 0 0 40120 1 0 0 0 0 41 51 1 0 0 0 0 43 48 1 0 0 0 0 43121 1 0 0 0 0 43122 1 0 0 0 0 44124 1 0 0 0 0 44125 1 0 0 0 0 44126 1 0 0 0 0 45127 1 0 0 0 0 45128 1 0 0 0 0 45129 1 0 0 0 0 46 47 1 0 0 0 0 46 50 1 0 0 0 0 46 58 1 6 0 0 0 46123 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 48130 1 0 0 0 0 48131 1 0 0 0 0 49 53 1 0 0 0 0 49132 1 0 0 0 0 49133 1 0 0 0 0 50 54 1 0 0 0 0 50134 1 0 0 0 0 50135 1 0 0 0 0 51 59 1 1 0 0 0 51 60 1 0 0 0 0 51137 1 0 0 0 0 52 54 1 0 0 0 0 52 57 1 0 0 0 0 52136 1 6 0 0 0 53138 1 0 0 0 0 53139 1 0 0 0 0 54140 1 0 0 0 0 54141 1 0 0 0 0 55 56 1 0 0 0 0 57 61 1 0 0 0 0 57142 1 0 0 0 0 57143 1 0 0 0 0 58144 1 0 0 0 0 58145 1 0 0 0 0 58146 1 0 0 0 0 59147 1 0 0 0 0 59148 1 0 0 0 0 59149 1 0 0 0 0 60 62 2 0 0 0 0 60150 1 0 0 0 0 61 63 1 0 0 0 0 61151 1 0 0 0 0 62 64 1 0 0 0 0 62 65 1 0 0 0 0 63 67 1 0 0 0 0 63 68 2 0 0 0 0 64 66 1 0 0 0 0 64153 1 0 0 0 0 65154 1 0 0 0 0 65155 1 0 0 0 0 65156 1 0 0 0 0 66 70 1 0 0 0 0 66157 1 0 0 0 0 67158 1 0 0 0 0 67159 1 0 0 0 0 67160 1 0 0 0 0 68 72 1 0 0 0 0 68161 1 0 0 0 0 69162 1 0 0 0 0 69163 1 0 0 0 0 69164 1 0 0 0 0 70 71 1 0 0 0 0 71 73 1 0 0 0 0 71 75 1 1 0 0 0 71165 1 0 0 0 0 72 76 2 0 0 0 0 72167 1 0 0 0 0 73 74 1 0 0 0 0 73168 1 0 0 0 0 73169 1 0 0 0 0 74 78 1 0 0 0 0 74 79 1 6 0 0 0 74170 1 0 0 0 0 75171 1 0 0 0 0 75172 1 0 0 0 0 75173 1 0 0 0 0 76 80 1 0 0 0 0 76174 1 0 0 0 0 77175 1 0 0 0 0 77176 1 0 0 0 0 77177 1 0 0 0 0 78 80 2 0 0 0 0 78178 1 0 0 0 0 79179 1 0 0 0 0 79180 1 0 0 0 0 79181 1 0 0 0 0 80182 1 0 0 0 0 81 82 1 0 0 0 0 81 83 1 0 0 0 0 81 84 1 0 0 0 0 82183 1 0 0 0 0 82184 1 0 0 0 0 83185 1 0 0 0 0 83186 1 0 0 0 0 83187 1 0 0 0 0 85 86 2 0 0 0 0 85 87 1 0 0 0 0 86 89 1 0 0 0 0 86190 1 0 0 0 0 87 90 2 0 0 0 0 87191 1 0 0 0 0 88 92 2 0 0 0 0 88 93 1 0 0 0 0 89 91 2 0 0 0 0 89192 1 0 0 0 0 90 91 1 0 0 0 0 90193 1 0 0 0 0 92 94 1 0 0 0 0 92194 1 0 0 0 0 93 95 2 0 0 0 0 93195 1 0 0 0 0 94 96 2 0 0 0 0 94 97 1 0 0 0 0 95 96 1 0 0 0 0 95196 1 0 0 0 0 96 98 1 0 0 0 0 M END > 45254045 > 1 > 2690 > 23 > 4 > 13 > AAADcfB/P8JAAAAAAAAAAAAAAAAAAAAAAAA8aMECAAAAAAABQAAAHwwQCCAADXzl2B6yyYPABzqYRqXSWPLiAAAhChAIiBnIZIgbtDbgsbWHcAhn9gD/+A+Y6PSOiAAAQAAQAABQAAKAACCAAAAAAAAAAA== > N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-propanamide;(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-[(1R)-2-[(1S,3R,4R)-4-dimethylphosphoryloxy-3-methoxy-cyclohexyl]-1-methyl-ethyl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone > N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide;(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-dimethylphosphoryloxy-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone > N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide;(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-dimethylphosphoryloxy-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone > N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide;(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-dimethylphosphoryloxy-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone > N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methyl-2-oxidanyl-propanamide;(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-dimethylphosphoryloxy-3-methoxy-cyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-1,18-bis(oxidanyl)-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone > N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-propionamide;(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-[(1R)-2-[(1S,3R,4R)-4-dimethylphosphoryloxy-3-methoxy-cyclohexyl]-1-methyl-ethyl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone > InChI=1S/C53H84NO14P.C18H14F4N2O4S/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32;1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3;2-8,26H,10H2,1H3,(H,24,25)/b15-13+,18-14+,33-19+,37-27+;/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-;/m1./s1 > OEBZAJRLEKKJDP-WWFQBLQWSA-N > 1419.62398410 > C71H98F4N3O18PS > 1420.6 > CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OP(=O)(C)C)C)C)O)OC)C)C)C)OC.CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O > C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OP(=O)(C)C)C)/C)O)OC)C)C)/C)OC.CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O > 317 > 1419.62398410 > 0 > 98 > 15 > 1 > 4 > 0 > 0 > 2 > -1 > 1 5 255 > 47 14 6 61 17 5 64 18 6 66 19 5 81 21 3 28 32 5 35 37 5 36 111 5 39 117 5 46 58 6 51 59 5 52 136 6 33 7 6 71 75 5 74 79 6 31 8 5 85 86 8 85 87 8 86 89 8 87 90 8 88 92 8 88 93 8 89 91 8 90 91 8 92 94 8 93 95 8 94 96 8 95 96 8 $$$$