B1A2VS -OEChem-04022107352D 42 44 0 1 0 0 0 0 0999 V2000 2.0000 -3.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 -3.0074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3464 -1.4728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4803 5.0272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 -2.0074 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8143 -1.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8143 -0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6143 -1.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6143 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4803 0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4803 -1.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3464 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4803 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 -4.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3464 1.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6143 1.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0231 -5.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3464 2.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6143 2.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4803 3.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4803 4.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1864 -2.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2034 -1.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6052 -2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6052 0.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2034 -0.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 0.5317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 0.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2724 -3.3111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4803 -2.5928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -0.1628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1021 -5.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4926 -4.4026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 1.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0774 1.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7069 -4.4939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4898 -5.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3393 -5.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 2.8372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0774 2.8372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 5 1 0 0 0 0 2 15 1 0 0 0 0 2 31 1 0 0 0 0 3 12 2 0 0 0 0 3 13 1 0 0 0 0 4 23 3 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 21 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 M END $$$$