BSHA47 -OEChem-04022100282D 36 36 0 1 0 0 0 0 0999 V2000 4.7770 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 0.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7985 1.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.3299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 0.6180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 0.2579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3090 1.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.3090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5691 -0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 -0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4223 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6302 -1.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1654 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0064 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -0.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 1.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 1.8256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 1.8256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 1.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 0.5101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1344 0.9155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8516 -0.6908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3849 -1.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2934 -0.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 1.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0237 -2.0852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7591 -2.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2366 -1.8274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5803 -0.7698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6262 0.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7505 0.1517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4182 1.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 16 1 0 0 0 0 2 36 1 0 0 0 0 3 16 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 24 1 0 0 0 0 10 5 1 6 0 0 0 5 11 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 M END $$$$