B8H1PE -OEChem-04022115593D 41 41 0 1 0 0 0 0 0999 V2000 -2.7998 -0.4631 1.9296 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8307 1.5107 -1.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0105 1.1056 0.2733 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2805 0.9696 -0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7858 -0.4559 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3036 -0.6196 -0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9784 -1.0877 -0.2497 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4687 -0.9246 -0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6673 -1.0000 0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5537 -0.3914 -1.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2812 -1.1526 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1675 -0.5440 -1.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8049 1.0478 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8468 1.3939 1.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3485 -2.5425 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6329 -0.1273 0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6376 2.1297 1.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9843 1.1513 -1.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8498 1.6802 -0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1572 -0.7322 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2449 -1.1827 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3722 -0.8891 -1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2387 -1.1853 1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0373 -0.0919 -2.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1931 -1.4485 1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4033 -0.3611 -2.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2916 0.3684 0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1322 0.7778 -1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1599 2.0634 0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1612 0.6636 2.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7621 1.5197 1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2924 2.3593 1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0162 -2.8587 1.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4361 -2.6725 0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9048 -3.2257 -0.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0507 3.0490 1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6909 1.8223 2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6497 2.3135 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3708 0.1622 -1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7672 1.9018 -1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 1.1422 -2.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 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 23 1 0 0 0 0 10 12 2 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 M END $$$$