BDAC65 -OEChem-04022108332D 57 61 0 1 0 0 0 0 0999 V2000 3.0338 1.5198 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7865 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.1101 -0.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6272 1.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6176 0.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2801 1.7865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7801 -1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9427 0.9229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3076 0.5439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9256 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6272 1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3532 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8800 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5043 -0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6631 0.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9036 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6811 0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8941 1.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2801 1.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4313 -0.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4336 -0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7801 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6566 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6661 1.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1266 -0.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8971 0.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1289 -0.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2526 0.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4258 -0.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5169 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 -1.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7357 -1.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2039 -0.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6989 2.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0222 1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8604 -0.1308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6382 -0.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0650 0.2326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4718 1.0094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6950 1.4161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9987 -0.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8632 -0.7952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0100 0.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0251 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8387 2.0555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1422 2.3909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8842 -0.8146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2887 -1.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5352 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2715 -1.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 -0.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8071 1.5278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0175 -0.9153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9252 0.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 -2.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 34 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 19 1 0 0 0 0 6 24 1 0 0 0 0 7 23 2 0 0 0 0 8 27 1 0 0 0 0 8 29 1 0 0 0 0 8 54 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 6 0 0 0 9 35 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 2 0 0 0 0 20 49 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 21 26 1 0 0 0 0 22 50 1 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 28 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 2 0 0 0 0 31 55 1 0 0 0 0 32 34 2 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 M END $$$$