D00MQS -OEChem-10101305032D 40 42 0 0 0 0 0 0 0999 V2000 11.5542 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 -0.7315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 0.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -0.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -1.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -1.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 1.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.9127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5470 1.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 1.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 2 19 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 29 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 4 33 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 16 37 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 18 21 2 0 0 0 0 18 36 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$