BK0BS9 -OEChem-04042104243D 63 66 0 0 0 0 0 0 0999 V2000 -7.5884 1.0204 -0.9274 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 -0.4491 -1.9382 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7495 -3.0157 1.1784 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5685 2.3283 -0.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7420 0.9154 -2.3696 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4464 2.6629 1.3779 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.6484 1.2016 2.4911 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3673 -0.1311 -0.5498 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3741 -1.5180 0.0226 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2109 0.2236 -0.1398 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8614 1.4942 1.5603 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0732 0.0130 0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2364 0.6674 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8328 -1.3036 1.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1922 -0.3105 -0.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 -2.2237 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0013 -0.2098 -0.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3304 -0.3287 -1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9237 0.1531 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5887 0.5143 -1.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 -0.3250 0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5949 -2.0037 0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5741 0.4310 0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8133 -1.2581 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2853 -0.3876 0.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2281 1.4580 -0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2665 -0.2433 1.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5182 -1.5649 -1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4245 0.4650 0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1294 0.1581 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6505 -0.1791 1.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5932 1.6662 -0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6762 -0.8569 -1.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3043 0.8477 0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8952 0.0886 -0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5316 0.7339 1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0397 1.5151 -0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7409 1.0730 0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4113 -1.0705 2.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 -1.8495 1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8272 -0.6318 -1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 0.1980 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2991 -2.5829 -0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3476 -3.1041 0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8675 -0.0947 -2.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -1.3964 -1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3235 -0.3052 1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8744 1.2409 0.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2778 0.2907 -2.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3321 1.5797 -1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7252 -0.0081 1.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4038 -1.4207 0.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8092 -1.2054 1.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7003 2.1217 -1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -0.0071 1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1744 -2.3549 -1.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2053 -0.8184 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1023 2.4677 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2104 -1.1223 -2.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3673 1.0100 0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8430 0.5726 -0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8847 -0.9281 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7519 0.0831 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 30 1 0 0 0 0 1 35 1 0 0 0 0 2 17 2 0 0 0 0 3 22 2 0 0 0 0 6 11 1 0 0 0 0 7 11 2 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 23 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 31 1 0 0 0 0 25 53 1 0 0 0 0 26 32 2 0 0 0 0 26 54 1 0 0 0 0 27 29 1 0 0 0 0 27 55 1 0 0 0 0 28 33 2 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 30 33 1 0 0 0 0 31 34 2 0 0 0 0 31 57 1 0 0 0 0 32 34 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 M CHG 2 6 -1 11 1 M END $$$$