D00KMC -OEChem-10191521562D 44 46 0 1 0 0 0 0 0999 V2000 2.8660 0.8170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3170 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3660 -0.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7320 -0.6830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7320 -0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3385 -0.9877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3385 0.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9221 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5311 1.2110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5421 -0.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 12 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 10 24 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 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 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 22 27 1 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M CHG 3 3 -1 6 -1 7 -1 M END $$$$