B3O9PW -OEChem-04042105493D 72 75 0 0 0 0 0 0 0999 V2000 2.2984 -4.9262 -0.7999 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4106 -2.2275 1.5659 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3139 3.4339 0.2953 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7698 -5.9488 0.1239 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9655 -5.2882 -2.1702 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0997 1.9906 -0.0409 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4704 2.8910 -0.6845 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6337 1.8548 -0.5043 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2978 1.7470 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4495 1.4347 1.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6954 2.2429 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9266 2.6348 -0.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9320 2.1416 1.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2614 0.6536 -0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5546 1.1257 2.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7054 0.3969 -1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8699 4.1105 -0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4613 2.4493 -0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5485 3.8541 -0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0584 1.2346 0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3849 0.5926 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9927 2.2518 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 1.5479 0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7304 -0.9893 1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 -0.0341 0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0574 -0.6761 0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7613 0.9171 0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3019 0.7051 -1.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3094 -2.8592 1.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9095 -4.1305 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7266 -4.1317 1.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -3.4936 -0.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3829 -3.4961 1.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1266 -2.8581 -0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6347 1.0463 -1.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5105 0.1301 -2.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5496 -3.6633 -0.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3757 1.5815 -0.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7422 1.7543 0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6038 3.0810 0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2119 1.3810 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9169 1.8544 -1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3105 3.5615 -1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8024 3.1530 1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0004 2.0795 0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6788 0.5867 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8886 -0.1548 0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5070 1.1815 2.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1452 1.3317 3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7897 0.0954 1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3523 0.2117 -0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1198 1.2274 -1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7585 -0.4985 -1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4175 5.0351 -0.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7871 4.6041 -0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 0.7422 -0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6453 2.5344 -0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7124 -0.2728 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8294 -1.4285 0.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4392 -4.6158 1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1067 -3.4778 -2.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5196 -3.4981 2.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8433 -2.3870 -1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1106 0.9015 -2.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6559 0.7709 -2.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1532 -0.8741 -2.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1112 0.0397 -3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4515 -4.0989 -1.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1955 -2.8404 -1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7547 -3.3202 0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4160 1.8547 -0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2760 2.1679 1.6786 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 37 1 0 0 0 0 2 24 1 0 0 0 0 2 29 1 0 0 0 0 3 22 2 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 8 18 2 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 9 56 1 0 0 0 0 10 27 1 0 0 0 0 10 39 2 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 19 2 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 25 2 0 0 0 0 21 23 2 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 2 0 0 0 0 28 35 1 0 0 0 0 28 36 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 60 1 0 0 0 0 32 34 2 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 35 38 2 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 38 39 1 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 M END $$$$