B3K2OR -OEChem-04022117233D 41 43 0 0 0 0 0 0 0999 V2000 -1.7969 -0.0036 -1.6617 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3827 -0.0059 -2.5852 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9511 -0.0022 -0.8124 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3685 0.0025 1.5594 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1417 0.0018 0.0303 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5548 0.0003 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2503 -1.2076 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2502 1.2086 0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 -1.2071 0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6309 1.2087 0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1217 -0.0001 -0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3212 0.0008 0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5241 -2.5137 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5239 2.5144 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7297 0.0020 0.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4596 -0.0031 -1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3955 -2.4861 0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3952 2.4874 0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1173 0.0013 0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6285 -0.0015 -0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 0.0032 1.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 0.0000 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3975 0.0011 0.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9703 -3.2831 0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4828 -2.4609 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5406 -2.8679 -1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2658 2.8769 1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 3.2776 -0.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6065 2.4598 -0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3311 0.0043 1.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1613 -2.9925 1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1755 -3.1510 -0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4772 -2.3108 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4286 2.3130 0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9463 3.1528 1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4359 2.9937 -0.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7171 0.0054 2.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0816 0.0007 -3.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2804 -0.4699 -2.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4789 0.0000 -0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7834 0.0033 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 20 2 0 0 0 0 2 16 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 20 1 0 0 0 0 3 22 2 0 0 0 0 4 21 2 0 0 0 0 4 22 1 0 0 0 0 5 22 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 12 2 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 19 2 0 0 0 0 15 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 37 1 0 0 0 0 M END $$$$