B92COT -OEChem-04012114473D 40 42 0 1 0 0 0 0 0999 V2000 -1.8827 1.5109 0.8380 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1889 0.0237 -1.8177 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7425 1.6302 -0.4223 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2823 1.0638 -1.9226 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7505 0.2053 -1.7237 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4938 2.0370 2.5157 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 0.0251 0.2314 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5515 0.1436 -1.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2523 1.2737 1.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -0.2550 -0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1325 0.5283 -0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7955 1.5005 1.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2443 1.1181 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3199 -1.5708 -0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7589 0.8036 -0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6562 -1.8282 -0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0950 0.5464 -0.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5809 -0.1283 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5436 -0.7695 -0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 -0.4539 -0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0693 -1.0970 1.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 -1.7481 -0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1939 0.5489 -1.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 -2.3914 1.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6204 -2.7169 0.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0438 -0.8254 0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9697 0.8840 -1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5669 -0.8224 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5834 2.1919 0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8171 1.1610 2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6381 -2.4044 -0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 1.8416 -0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 -2.8527 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7853 1.3702 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2464 -0.1545 -2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5836 -0.9697 -0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2721 -0.8698 2.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9351 -2.0283 -0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1922 -3.1454 2.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0251 -3.7247 0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 11 1 0 0 0 0 5 35 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 37 1 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$