BKET78 -OEChem-04022106553D 35 38 0 0 0 0 0 0 0999 V2000 -3.5691 -0.9753 -1.9172 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1589 1.0599 0.0021 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3736 -1.0088 -0.3147 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 1.1821 0.6139 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4121 2.3935 -0.0643 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2967 1.2207 -0.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0474 -1.9848 0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8214 -3.2072 0.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9644 -0.9301 0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0976 -3.0775 0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2586 -1.5904 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9547 0.4084 0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3358 0.3579 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4841 0.8985 0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 2.4255 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8643 0.0869 -0.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4525 1.4274 1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1816 0.3330 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2131 -0.1959 -0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8013 1.1447 1.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6245 0.0316 -0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7101 -1.7524 1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6349 -2.2175 -0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0839 -3.2010 1.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -4.1468 0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9622 -3.4750 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9553 -3.5550 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0692 2.1018 0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2069 3.3652 -0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1455 -0.2888 -1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1681 2.0601 2.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5443 1.5627 1.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8979 0.2311 -1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 -1.0193 -0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2736 0.6484 0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 11 2 0 0 0 0 3 13 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 28 1 0 0 0 0 5 15 2 0 0 0 0 6 13 2 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$