B82FSI -OEChem-04022113253D 52 55 0 1 0 0 0 0 0999 V2000 3.4347 1.1909 0.6163 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -1.9662 -0.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8906 2.4552 0.0709 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8945 0.7400 1.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2255 3.6213 -1.7751 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7956 2.8378 -0.8007 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0021 -4.1460 -0.9236 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6851 -0.0433 -0.5291 N 0 0 1 0 0 0 0 0 0 0 0 0 -2.4862 1.4565 0.6229 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3948 -1.4528 -0.1151 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0893 -2.1651 -1.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1299 0.1663 -1.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3441 -1.0997 -2.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 -2.0561 0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6686 1.2335 0.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9778 2.0753 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9757 0.4162 1.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 2.0622 -0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0996 1.2609 0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4228 0.4243 1.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 2.8130 -0.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 2.3864 -0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4912 0.7778 1.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8798 -2.5169 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8945 -0.5301 0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7257 -0.5461 -0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -1.7292 1.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0983 -1.7612 -0.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8086 -2.9443 0.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6398 -2.9604 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -1.5040 0.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4899 -3.0685 -1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9983 -2.4483 -1.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9853 0.2527 -2.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5294 1.0630 -2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2994 -1.3112 -3.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3174 -1.0082 -1.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3826 -3.1097 0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7863 -1.5396 1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 2.7276 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5147 -0.2329 2.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9327 -0.2050 2.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3776 1.4226 1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1412 0.6516 2.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7202 -2.4234 -0.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7265 -3.5772 0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1199 -1.9690 1.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0965 0.3784 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7946 -1.7352 2.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7468 -1.7675 -1.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -3.8716 1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5948 -4.8711 -0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 30 1 0 0 0 0 7 52 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 19 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 17 20 2 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 M END $$$$