B9GWE4 -OEChem-04022105503D 46 48 0 0 0 0 0 0 0999 V2000 -2.7786 0.8398 -1.0564 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6068 0.4584 -0.0680 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5135 -3.8247 0.4864 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4614 -3.3685 0.0593 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7576 -1.4387 -0.2841 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6558 1.8892 -0.0841 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3454 1.6124 0.2074 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0711 3.5489 0.2453 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2966 3.8000 -0.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 5.6739 -0.0098 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8597 -2.1223 -1.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3523 -2.2668 0.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8443 -2.9471 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2737 -3.0871 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0973 -0.1373 -0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0345 1.3521 0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8339 2.2344 0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1123 0.5584 -0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 2.4617 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 0.2706 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2872 -0.4778 -0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0193 -2.0818 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8453 -1.0482 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7403 -1.7966 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0452 4.2728 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5652 -4.3759 -0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5002 -2.8043 -1.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -1.4873 -1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8847 -1.6792 1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0691 -2.9321 0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1498 -2.3067 0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2553 -3.5644 -1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 -2.4479 2.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7297 -3.8041 2.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7774 1.8879 1.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7388 0.4621 1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3935 2.5873 -0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0459 1.0665 0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3023 -0.2978 -0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8426 -1.2644 0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0506 -2.5496 -0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6996 6.2593 -0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 6.0748 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3343 -4.2477 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6621 -4.4288 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0787 -5.3377 -0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 15 2 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 22 1 0 0 0 0 4 26 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 37 1 0 0 0 0 7 17 1 0 0 0 0 7 19 2 0 0 0 0 8 17 2 0 0 0 0 8 25 1 0 0 0 0 9 19 1 0 0 0 0 9 25 2 0 0 0 0 10 25 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 23 1 0 0 0 0 20 38 1 0 0 0 0 21 24 2 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END $$$$