BL86IV -OEChem-04022102372D 52 56 0 0 0 0 0 0 0999 V2000 12.3736 2.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6532 1.7996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -0.2403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -3.3096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 2.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5250 1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5019 3.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3852 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7931 1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8046 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9213 1.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0727 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9444 -0.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4229 3.3797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0324 2.6848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1320 0.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9290 0.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8949 3.7891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0979 3.7798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6040 1.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9945 1.9344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3451 -0.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9141 2.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9516 -0.8402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5206 1.5734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 0.0635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 -1.4420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 -3.1078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 3 42 1 0 0 0 0 4 17 2 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 11 14 2 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 28 2 0 0 0 0 26 49 1 0 0 0 0 27 29 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$