B5PVI0 -OEChem-04022102012D 42 46 0 1 0 0 0 0 0999 V2000 7.6166 -1.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2545 -3.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8647 0.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 1.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2666 -0.6613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1487 -2.2028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1326 -1.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3566 -1.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2506 -2.7305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3486 -2.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2666 0.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1367 -2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9986 -0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4006 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1326 0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9986 0.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3566 0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1487 1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3486 1.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2506 2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 2.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2674 3.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3319 4.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3272 -3.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 -0.5828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7449 -1.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7143 -3.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7385 -2.0989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 -2.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9893 -2.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7143 -2.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7106 0.3757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8636 0.1487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0906 -0.6982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8233 0.5294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 -4.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6892 2.1840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8078 3.7966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 3.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3343 4.6626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 9 2 1 1 0 0 0 2 37 1 0 0 0 0 3 16 2 0 0 0 0 4 21 1 0 0 0 0 4 42 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 6 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 6 0 0 0 7 13 2 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$