BAN8J1 -OEChem-04022108422D 57 60 0 1 0 0 0 0 0999 V2000 8.1301 2.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2762 -1.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 1.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 -2.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1898 -2.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8422 2.5256 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3981 1.0347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2641 1.5347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2641 2.5347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1950 1.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1741 1.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3820 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1821 -0.0138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1114 2.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0501 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0501 3.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 3.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0539 -1.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9257 -3.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7937 -3.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6891 3.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 1.5798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7867 1.5898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7858 0.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3786 1.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7729 0.1087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 -0.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 3.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9995 3.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7173 0.2993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9198 2.7899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5049 2.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 1.7247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6611 -0.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2599 0.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6566 3.3748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 4.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4436 3.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 3.6893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 2.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 2.0453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 1.8151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 0.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3147 -2.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7159 -3.5905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4857 -4.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3318 -3.8117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1016 -2.9656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 1 41 1 0 0 0 0 2 18 2 0 0 0 0 3 23 1 0 0 0 0 3 26 1 0 0 0 0 4 25 1 0 0 0 0 4 27 1 0 0 0 0 5 25 2 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 1 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 9 29 1 1 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 15 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 18 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 2 0 0 0 0 13 20 1 0 0 0 0 14 17 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 6 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 22 1 0 0 0 0 19 25 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 23 2 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 24 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 24 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 M END $$$$