B3E1TI -OEChem-04012114203D 42 45 0 1 0 0 0 0 0999 V2000 -0.1765 0.6440 1.1745 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6823 1.0321 0.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1548 -0.3882 1.4847 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 1.6076 2.1954 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 1.2571 0.5331 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9467 -0.9074 -0.7178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6911 1.4958 -0.2171 N 0 0 1 0 0 0 0 0 0 0 0 0 4.7754 -1.8508 -0.8084 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8701 2.4290 -0.3120 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1581 3.2076 -1.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 2.5484 -0.9142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1386 1.7159 -0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2691 -0.1321 0.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 0.5219 0.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -1.4116 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5998 -0.1435 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5179 -1.4055 -0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3114 -2.0641 -0.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4077 -0.1012 0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0080 0.2438 0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7508 -0.9120 -0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1066 -0.2119 -1.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4375 -1.1283 1.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8456 -1.3652 -1.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1765 -2.2816 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8805 -2.3999 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9863 3.0200 0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1953 4.2966 -1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 2.9108 -2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 2.1373 -1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 3.1623 -0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9084 1.0330 -1.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 2.4522 -1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5965 1.5064 1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -1.9127 -0.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2358 -3.0465 -0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9336 -2.7462 -1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1309 0.5819 -1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -1.0394 2.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3998 -1.4550 -2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2051 -3.0868 1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4574 -3.2971 -0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 5 20 2 0 0 0 0 6 21 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 36 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$