B45APO -OEChem-04012117432D 40 43 0 0 0 0 0 0 0999 V2000 7.3462 -1.1916 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3735 0.4370 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7584 1.5585 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5153 0.4175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2949 0.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0269 0.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0269 1.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4289 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1609 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2949 1.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8462 -0.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1609 2.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 -0.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3243 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 2.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1825 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3517 0.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8269 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8269 1.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1706 2.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1609 -0.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7579 1.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1609 2.6308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9137 -0.6438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7851 -1.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 -1.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9137 2.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3627 0.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3627 1.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6722 2.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8062 2.8691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6690 2.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 20 1 0 0 0 0 3 25 1 0 0 0 0 4 10 1 0 0 0 0 4 14 2 0 0 0 0 5 24 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 24 2 0 0 0 0 6 40 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 16 2 0 0 0 0 9 15 1 0 0 0 0 9 18 2 0 0 0 0 10 17 2 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 20 2 0 0 0 0 13 15 2 0 0 0 0 13 27 1 0 0 0 0 15 28 1 0 0 0 0 16 22 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 23 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 M END $$$$