MMs03805983 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 -0.7595 1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2595 1.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2404 -1.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 -1.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2594 1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7594 1.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5189 2.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0189 2.5317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7593 1.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2593 1.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9998 -0.0663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5921 -1.1099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4998 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7402 -1.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7784 3.8252 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.6193 4.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2713 3.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5940 5.4359 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.9046 6.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3005 6.1954 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.1414 6.5060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1785 5.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1547 7.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7889 8.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9688 6.0359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.1758 5.1453 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -15.3828 4.2547 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 1.2000 0.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1672 2.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8671 2.3172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8327 -2.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1328 -2.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0922 -1.0768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6671 2.3039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9266 3.5864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2625 2.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4638 3.8368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3512 7.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4536 8.8505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6723 9.5028 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 18 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 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 29 2 0 0 0 0 29 30 2 0 0 0 0 M CHG 1 29 1 M CHG 1 30 -1 M END