MMs00090172 MOE2007 2D CORINA 3.40 0006 02.08.2006 30 32 0 0 1 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7608 -1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0216 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 -2.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 -1.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4999 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7037 -1.6418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8481 -3.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4727 -3.7335 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1408 -3.8956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4461 -3.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6153 -1.6660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0850 -1.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 -0.0011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8242 -2.6715 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6727 -1.8230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8113 -3.7779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3146 -2.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9133 -4.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0216 -5.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5913 1.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9607 -1.2828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6302 -3.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 1.0217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1309 -5.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0510 -4.9537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2409 -1.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4814 -2.5601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4037 -4.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8827 -5.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 29 1 0 0 0 0 29 30 1 0 0 0 0 M END