BP86IG -OEChem-04012114362D 42 45 0 0 0 0 0 0 0999 V2000 5.3667 2.9101 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4134 -3.3888 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1454 -4.3888 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2332 1.9590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 4.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 2.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6454 1.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 0.1989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0576 1.9590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9544 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1454 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9055 -0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6454 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1454 -1.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6486 0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0576 1.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2794 -1.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0114 -1.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5997 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4407 1.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2794 -2.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0114 -2.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3428 0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1839 2.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1454 -3.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 2.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1349 1.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 3.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 3.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6144 -0.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3941 -0.4918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7467 0.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7425 -1.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5484 -1.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7286 -0.3564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8511 1.7288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5484 -3.1988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9325 0.7276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0550 2.8128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5957 2.3122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 4.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.3888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 28 1 0 0 0 0 2 21 1 0 0 0 0 3 25 1 0 0 0 0 4 13 2 0 0 0 0 5 29 1 0 0 0 0 5 42 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 32 1 0 0 0 0 9 16 2 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 17 33 1 0 0 0 0 18 22 2 0 0 0 0 18 34 1 0 0 0 0 19 23 1 0 0 0 0 19 35 1 0 0 0 0 20 24 2 0 0 0 0 20 36 1 0 0 0 0 21 25 2 0 0 0 0 22 25 1 0 0 0 0 22 37 1 0 0 0 0 23 27 2 0 0 0 0 23 38 1 0 0 0 0 24 27 1 0 0 0 0 24 39 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 M END $$$$