B5JDG2 -OEChem-04022103593D 43 46 0 0 0 0 0 0 0999 V2000 -0.9253 1.6379 1.1336 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0374 -1.8264 0.8753 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7742 -0.0470 -0.4937 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3932 -1.7770 -0.9541 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0689 -0.4196 -0.4664 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8011 -1.3079 1.5513 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -0.4130 -0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5237 1.1957 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6698 0.6379 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8147 -0.8668 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6779 1.6457 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2685 1.8489 -0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 -1.5820 -0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0191 0.5186 0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1943 -1.5407 -0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5312 -2.4007 -0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1061 -1.6782 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7236 -0.6452 0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4629 -1.3889 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1565 2.6899 -1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4797 3.1675 -0.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0155 2.6732 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8426 0.3270 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9289 -0.2085 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6609 -0.2402 1.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3131 -0.2225 -1.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -1.6396 -1.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8029 2.5971 1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3027 -2.3977 -1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5127 1.3160 1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1781 -3.0842 0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0535 -2.9959 -1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4792 -1.5234 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 -2.5738 -0.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7645 -0.7430 0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4458 2.9549 -1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0115 3.8395 -1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9933 2.8751 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4328 1.1675 0.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7476 0.4272 -2.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9796 -1.1695 -2.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9748 0.2903 -2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1046 0.0667 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 22 1 0 0 0 0 2 15 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 33 1 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 19 2 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 12 20 2 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$