BAS95M -OEChem-04022107412D 53 55 0 1 0 0 0 0 0999 V2000 7.2566 0.6870 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0504 1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4628 -0.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1706 1.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -2.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.4807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.2360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.4698 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 -1.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2351 0.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 1.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 2.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8815 0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5243 2.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 2.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7705 3.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7490 3.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -0.0083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 0.9422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.4312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.8253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7104 -0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1317 2.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4804 2.0489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0736 2.5812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2955 -0.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7169 2.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4607 3.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8675 2.5497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7499 4.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1566 3.7064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -1.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8768 3.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3556 3.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6211 4.4320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 4 23 1 0 0 0 0 4 27 1 0 0 0 0 5 15 1 0 0 0 0 5 50 1 0 0 0 0 6 15 2 0 0 0 0 7 10 1 0 0 0 0 7 33 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 15 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 18 2 0 0 0 0 14 34 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 25 1 0 0 0 0 21 40 1 0 0 0 0 22 26 2 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END $$$$