MMs01229260 MOE2007 2D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 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 0.7559 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0118 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4882 -2.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2441 -1.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7099 -1.6277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6053 -0.8288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8599 -3.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -3.7241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1555 -3.8761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 -3.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4648 -1.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7536 -3.8879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0560 -3.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0628 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3652 -0.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6609 -1.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6541 -3.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3516 -3.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9497 -3.9115 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5953 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 -1.2902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6165 -3.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1047 1.0297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1501 -5.0761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7481 -5.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0263 -1.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3707 0.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7028 -1.0603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3462 -5.0997 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 31 1 0 0 0 0 M END