B2GS3D -OEChem-04022108512D 31 32 0 1 0 0 0 0 0999 V2000 2.9230 2.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1307 1.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5965 3.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 3.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 31 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 1 0 0 0 4 7 1 0 0 0 0 4 18 1 0 0 0 0 5 8 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 12 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 10 15 1 0 0 0 0 10 24 1 0 0 0 0 11 16 2 0 0 0 0 11 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 M END $$$$