BW7VS3 -OEChem-04012118542D 48 51 0 0 0 0 0 0 0999 V2000 8.3780 -0.3784 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 2.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5822 -1.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1739 0.6006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7527 -2.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9601 -0.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6065 1.3880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -0.5825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 0.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -0.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 1.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 0.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 1.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -0.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 1.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3570 -0.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0864 -1.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0232 -0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6697 0.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1075 -1.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0022 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6486 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3149 0.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2938 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 -0.6227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 -0.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7081 0.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3034 -0.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 1.6444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 0.8642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9426 2.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1806 2.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -0.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 2.5144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 1.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8294 -1.5089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2566 1.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9809 -1.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5005 -1.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 -2.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4153 -1.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8425 1.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5670 -0.1810 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 8 1 0 0 0 0 1 21 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 5 22 2 0 0 0 0 6 29 1 0 0 0 0 6 48 1 0 0 0 0 7 29 2 0 0 0 0 8 18 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 41 1 0 0 0 0 24 27 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 28 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 M END $$$$