B5OZS4 -OEChem-04012114003D 39 39 0 1 0 0 0 0 0999 V2000 0.8075 1.3859 0.3969 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4545 1.0029 0.1618 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6134 1.8160 2.1651 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2039 -1.4789 1.3597 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6866 -3.1864 1.3873 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0417 -0.4877 -0.9213 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4549 2.6715 -2.0182 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6008 1.8832 -1.1297 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0549 2.7702 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4726 0.7761 -0.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7105 -1.7052 -0.5228 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2782 1.9538 0.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -2.7809 -1.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6121 0.5559 1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2118 -2.2069 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7581 0.0099 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -1.1988 -0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9533 0.7177 0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6796 -1.7064 -0.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0185 0.2101 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8815 -1.0020 -1.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7789 1.4603 -1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8669 3.2715 0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3996 3.5574 -0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7749 -1.4744 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1759 -0.5790 -1.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1929 3.1241 -1.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9089 3.4286 -2.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0821 -3.6933 -1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -2.4363 -2.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4855 -3.0479 -1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 1.1472 2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0135 -0.2629 1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6813 -1.7539 -0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 1.6637 0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5727 -2.6496 -1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9543 0.7587 -0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7107 -1.3970 -1.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9178 -1.8343 2.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 10 2 0 0 0 0 3 12 2 0 0 0 0 4 15 1 0 0 0 0 4 39 1 0 0 0 0 5 15 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 9 12 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 25 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$