BBJ17R -OEChem-04022112433D 38 39 0 1 0 0 0 0 0999 V2000 0.9014 -2.0341 0.3763 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0551 -3.0236 1.4258 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6395 -2.1669 -0.8651 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8195 0.7319 1.0895 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0103 0.1865 -1.2717 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 -0.4852 1.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6151 0.2602 -1.1618 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6099 0.6156 0.1188 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1232 1.9497 0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3345 2.2119 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1272 0.5443 0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -1.9523 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7034 2.8853 -0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3126 1.7810 1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1964 -1.5189 -1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7811 -2.3176 0.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0507 3.1279 -1.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6597 2.0234 1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0288 2.6969 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -1.4506 -1.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1336 -2.2496 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5175 -1.8160 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1979 0.4705 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2965 2.0037 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7156 2.7720 0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -0.3868 2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0491 3.2235 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0389 1.2550 2.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 -1.2223 -2.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5037 -2.6503 1.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3381 3.6512 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4214 1.6861 1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0842 0.2245 -2.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0778 2.8844 -0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8481 -1.1102 -2.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 -2.5315 1.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5707 -1.7611 -0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1394 -0.7726 -1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 4 11 2 0 0 0 0 5 7 1 0 0 0 0 5 38 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 7 11 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 27 1 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 20 1 0 0 0 0 15 29 1 0 0 0 0 16 21 2 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 M END $$$$