BT87AB -OEChem-04022106522D 34 36 0 1 0 0 0 0 0999 V2000 4.9488 -0.9140 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3514 -1.4284 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3504 1.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9488 1.3330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 -0.6914 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5400 0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7306 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 1.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7306 -0.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3504 -1.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1713 2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6246 1.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6246 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6164 -2.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4382 2.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5306 0.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5306 -0.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 -2.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1786 -1.2766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0552 0.5961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0552 -0.1770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7426 2.0671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5077 2.8288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6174 1.8642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6174 -1.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1969 -2.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 3.4426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9838 3.4098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0165 2.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0664 1.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0664 -0.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -3.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4023 -2.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 19 1 0 0 0 0 3 8 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 14 18 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 M END $$$$