B2VD5N -OEChem-04022107512D 41 43 0 1 0 0 0 0 0999 V2000 5.3457 -0.1315 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 -3.0671 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2425 -3.0671 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5158 -0.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5366 -0.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1547 0.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 0.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0001 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4013 4.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 -0.9405 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9945 3.1046 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4334 -2.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2425 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9334 -0.9405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6244 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 -4.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9334 -4.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5212 -0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 1.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 0.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 2.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 1.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1035 0.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5525 -2.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -1.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -0.3880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0580 -1.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3144 -2.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3270 -4.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9983 -4.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8686 -4.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5399 -4.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 1.6559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5112 0.0066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 2.9665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 1.3172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6051 0.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4680 1.0746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6020 0.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 12 1 0 0 0 0 3 17 1 0 0 0 0 4 18 1 0 0 0 0 4 24 1 0 0 0 0 7 18 2 0 0 0 0 8 11 1 0 0 0 0 9 11 2 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 6 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 25 2 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M CHG 2 8 -1 11 1 M END $$$$