B4ILN3 -OEChem-04022101413D 54 59 0 1 0 0 0 0 0999 V2000 3.4935 3.7531 0.1166 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.5537 -2.1131 -0.7300 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1855 2.5154 0.5664 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5327 -3.0846 1.4536 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2478 2.2755 -0.1679 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8335 -1.5868 -0.2278 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6511 1.7928 -0.1856 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8985 0.3573 0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9429 -3.9049 -0.5545 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7087 -0.5031 -2.0708 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1281 -1.1211 -0.2931 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6731 0.0175 -0.5985 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9827 -0.4062 0.6397 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9534 -0.8254 2.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 0.5259 0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2745 0.3462 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8311 -2.0313 2.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0424 1.9153 0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2903 1.7426 0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5217 0.0200 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4748 -0.3107 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0876 -2.7760 0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1359 2.7775 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 0.8800 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6146 0.4451 -0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 2.4104 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4196 2.2584 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8746 -0.1901 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4702 -1.0695 0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5286 0.0575 -1.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1036 1.0579 -0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6844 -1.6660 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3164 0.2135 -0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2573 -1.3525 -1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5664 0.7727 -0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2347 -1.8762 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4848 -1.3171 -0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0691 -1.1121 2.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2408 -0.0007 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6472 -2.4187 3.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8981 -1.8001 2.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6895 -1.0552 0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5205 -1.3944 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9896 3.8546 0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2101 2.9885 0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9585 -0.6589 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -3.8569 -1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 -4.8224 -0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0064 -1.2990 1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 0.7312 -2.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1675 -2.3538 0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2039 -1.7910 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7379 1.8425 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0839 -2.9486 -0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 37 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 17 1 0 0 0 0 4 22 1 0 0 0 0 5 31 2 0 0 0 0 6 13 1 0 0 0 0 6 22 2 0 0 0 0 7 25 2 0 0 0 0 7 26 1 0 0 0 0 8 24 1 0 0 0 0 8 31 1 0 0 0 0 8 46 1 0 0 0 0 9 22 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 30 1 0 0 0 0 10 34 2 0 0 0 0 11 33 1 0 0 0 0 11 36 2 0 0 0 0 12 35 1 0 0 0 0 12 37 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 21 2 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 23 1 0 0 0 0 19 26 2 0 0 0 0 20 24 2 0 0 0 0 20 42 1 0 0 0 0 21 25 1 0 0 0 0 21 43 1 0 0 0 0 23 27 2 0 0 0 0 23 44 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 32 2 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 51 1 0 0 0 0 33 35 2 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 36 37 1 0 0 0 0 36 54 1 0 0 0 0 M END $$$$