BRG0S3 -OEChem-04012115022D 41 43 0 0 0 0 0 0 0999 V2000 8.3673 0.6388 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1116 1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6230 -0.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 -3.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 1.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3423 3.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0352 -0.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 -2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6139 -0.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4465 1.7933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6168 2.4615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9497 3.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5349 3.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4492 -0.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4966 0.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5716 -3.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3062 -2.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8274 -1.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.6153 0.0000 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 12 1 0 0 0 0 1 22 1 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 5 18 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 25 1 0 0 0 0 12 17 2 0 0 0 0 13 16 2 0 0 0 0 13 26 1 0 0 0 0 14 19 2 0 0 0 0 14 27 1 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 23 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$