B3THY7 -OEChem-04022108212D 51 53 0 0 0 0 0 0 0999 V2000 8.1424 -3.4387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -1.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 -0.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4315 -0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 -4.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4325 -0.2591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8392 -0.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5594 -1.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0382 -0.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3037 -0.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -3.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.2584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.9486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8086 -3.2880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1183 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1890 -4.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0360 -4.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2629 -4.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 19 1 0 0 0 0 3 22 1 0 0 0 0 4 19 2 0 0 0 0 5 16 1 0 0 0 0 5 20 1 0 0 0 0 5 40 1 0 0 0 0 6 24 1 0 0 0 0 6 27 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 17 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 14 2 0 0 0 0 12 19 1 0 0 0 0 13 18 2 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 22 26 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 M END $$$$