BD91IL -OEChem-04042103153D 41 43 0 0 0 0 0 0 0999 V2000 -2.1340 -2.3375 -0.4217 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2873 -2.2842 -1.8691 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 -3.5885 0.2784 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6735 1.9190 -0.6999 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1365 0.6162 1.1013 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0985 -1.1130 0.2776 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4107 0.1880 -1.1157 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3376 -0.4965 0.7848 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6164 0.9441 -0.6626 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5154 -1.8190 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4673 -0.6038 -0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 -0.9811 -0.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0697 -1.0188 0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0623 -2.2519 1.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9347 0.2837 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3582 -1.8604 1.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5092 0.2210 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2009 1.0787 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1172 1.1428 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4594 1.7524 1.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2922 1.8808 -0.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6342 2.4903 1.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5506 2.5546 0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8366 1.1094 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9573 2.1737 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2508 -0.6311 -1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4255 -1.2509 1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4843 -2.8971 1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6136 0.3312 -1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1387 0.7455 0.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7979 -2.2007 2.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3119 0.6624 -2.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9279 0.6204 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7542 1.7085 2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5471 1.4329 -1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0060 1.9303 -1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8359 3.0146 2.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4654 3.1290 0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8424 2.6808 0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5114 1.2377 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5132 2.8276 -0.7950 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 10 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 24 2 0 0 0 0 6 15 1 0 0 0 0 6 27 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 32 1 0 0 0 0 8 13 1 0 0 0 0 8 17 2 0 0 0 0 9 17 1 0 0 0 0 9 24 1 0 0 0 0 9 35 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 26 1 0 0 0 0 13 16 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$