BNU4B7 -OEChem-04012112283D 38 40 0 1 0 0 0 0 0999 V2000 -5.0617 -0.6830 -0.3936 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6054 0.0019 -0.0239 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3293 1.3330 0.0348 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6491 -0.3149 -1.2813 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9747 -0.5792 -1.3366 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8405 -0.4337 1.1763 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3818 0.1438 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0776 -0.1983 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9976 1.4016 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 2.7221 0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2646 0.0658 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4258 -0.7475 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -1.9179 1.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.4534 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 3.4947 1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6966 3.6198 -1.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5333 -2.1651 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 -0.6064 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7505 -2.7397 -0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 -1.9438 -0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3634 0.1381 1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 2.5758 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2761 1.1611 0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8987 -0.2335 1.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4345 -2.1160 2.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1509 -2.5560 0.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7878 -2.2287 1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 2.8960 2.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0718 4.4305 1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 3.7390 1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7633 3.8693 -1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1287 4.5555 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4567 3.1115 -2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6382 -2.7744 -0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -0.8440 -2.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 0.0427 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8557 -3.8177 -0.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 -2.4473 -0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 18 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 14 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 9 10 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 17 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 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 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 M END $$$$