B12NTY -OEChem-04022112423D 29 30 0 0 0 0 0 0 0999 V2000 0.3671 0.9819 0.0573 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -1.6463 -0.0242 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9574 2.7417 0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4904 0.4507 -0.0038 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8354 0.0174 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1091 0.6065 0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1477 0.2227 -1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1598 0.1064 1.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7846 0.5173 -1.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7966 0.4011 1.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8264 -0.7268 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2930 -0.2976 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3451 -0.6308 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4453 -1.9665 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8404 0.3787 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8354 -1.9996 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5537 -0.8090 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5392 1.6522 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6635 0.1575 -2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6849 -0.0500 2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2653 0.6740 -2.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2869 0.4663 2.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8777 0.6264 0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5723 -0.9340 0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5668 -0.8396 -0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8849 -2.8951 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3581 -2.9515 -0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6384 -0.8268 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6416 1.6119 0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 13 2 0 0 0 0 3 18 2 0 0 0 0 4 11 1 0 0 0 0 4 15 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 8 10 2 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 M END $$$$