D04BCB -OEChem-04152109552D 58 61 0 1 0 0 0 0 0999 V2000 2.2788 -5.1639 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 -1.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -4.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 3.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6141 5.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 0.9239 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5878 -6.1149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 0.9239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0160 2.4239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -4.5761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0878 -3.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -3.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -5.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 -3.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -2.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 -2.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 -0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 -3.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 -1.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -6.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2839 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2839 2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0160 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0160 4.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0160 5.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8820 3.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7480 5.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8820 5.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7480 4.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6141 6.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5354 -4.2946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8757 -2.9935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4772 -3.6837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 -4.1961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 -1.7661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6300 -0.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0285 0.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3398 0.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9413 -0.6837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 -3.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 -0.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9522 -6.6165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8619 1.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 1.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2419 0.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7470 2.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5529 1.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4791 5.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8820 3.3039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8820 6.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2850 4.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2341 6.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6141 7.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9941 6.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 22 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 14 2 0 0 0 0 4 22 2 0 0 0 0 5 26 1 0 0 0 0 5 28 1 0 0 0 0 6 31 1 0 0 0 0 6 34 1 0 0 0 0 7 17 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 14 1 0 0 0 0 8 22 1 0 0 0 0 8 46 1 0 0 0 0 9 23 1 0 0 0 0 9 27 2 0 0 0 0 10 26 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 15 20 1 0 0 0 0 15 38 1 0 0 0 0 16 21 2 0 0 0 0 16 39 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 23 25 2 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 29 52 1 0 0 0 0 30 33 2 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 M END $$$$