BKB31V -OEChem-04022115193D 40 41 0 1 0 0 0 0 0999 V2000 -1.6726 -2.1831 0.3227 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 0.7399 0.9678 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 1.0531 -0.4937 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3738 -0.8305 0.6116 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3239 -2.5861 -0.9091 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -3.1162 1.4273 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1211 1.2189 0.0808 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8149 -0.4104 -1.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0118 -0.5008 -0.9005 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3755 -0.7522 0.8955 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4585 0.4376 0.0010 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7593 1.1857 0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2129 1.2961 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0336 -1.6542 -0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7598 2.0046 -1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5201 1.3771 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9968 0.5206 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9728 -1.7174 0.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 -1.1733 -1.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3862 2.7941 -0.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6259 2.1666 1.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2662 -1.2997 0.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5465 -0.7556 -1.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0791 2.8751 0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5531 -0.8189 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6198 0.1288 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5289 0.0760 -1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4659 -0.5922 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7239 2.1935 -0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8825 1.2832 1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2917 1.9508 -1.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 0.8550 2.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7716 -2.0882 1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -1.1178 -2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7397 3.3450 -1.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1646 2.2316 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0273 -1.3991 1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7639 -0.3811 -2.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9722 3.4885 0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9255 0.7997 -0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 26 1 0 0 0 0 7 17 1 0 0 0 0 7 40 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 17 2 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 31 1 0 0 0 0 16 21 2 0 0 0 0 16 32 1 0 0 0 0 18 22 1 0 0 0 0 18 33 1 0 0 0 0 19 23 2 0 0 0 0 19 34 1 0 0 0 0 20 24 2 0 0 0 0 20 35 1 0 0 0 0 21 24 1 0 0 0 0 21 36 1 0 0 0 0 22 25 2 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$