B1QPW2 -OEChem-04042103593D 42 44 0 0 0 0 0 0 0999 V2000 0.0316 0.5080 0.6973 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 -1.5804 0.6423 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2378 -1.4144 0.2456 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5828 2.1497 0.0327 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2853 0.6707 -0.4463 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8722 1.9220 -0.2296 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -0.3672 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6002 1.0724 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4732 -0.5023 -1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0234 1.5567 0.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8949 -0.0154 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 1.4127 -0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1533 -0.8097 -0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 -1.1429 0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 -0.7066 0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5425 -0.8991 0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7337 0.4896 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5915 -1.8103 -0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0615 0.9127 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1471 -0.0305 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9269 -1.4157 -0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 -1.0280 0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1229 1.7453 -0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 1.1491 1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5085 -1.5489 -1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0453 0.0746 -2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4551 0.9811 1.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0022 2.6055 1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4839 -0.0680 -1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3771 -0.6824 -0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9354 1.7048 -0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5591 2.0990 -1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1759 -1.7070 -0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -0.0427 -0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8454 -1.9555 1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -0.2777 1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8675 -2.5717 0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1461 -2.4225 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9859 1.2310 0.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3633 -2.8736 -0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7119 -2.1267 -0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5310 2.6914 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 2 37 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 38 1 0 0 0 0 4 6 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 20 2 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 21 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$