MMs02039762 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.4999 0.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5222 -2.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -3.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -3.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5221 -2.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -1.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 0.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 1.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 0.0515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7386 1.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2386 1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9774 2.6752 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4773 2.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3486 3.9091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9680 5.0471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7791 3.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7919 1.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3694 1.4821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9850 4.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8154 5.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0213 6.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3968 6.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5664 4.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3605 3.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6027 7.0260 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0103 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3223 -2.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6923 -4.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3922 -4.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7221 -2.5491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6087 -0.9826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6075 1.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9368 2.5404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0403 0.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3697 0.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7688 1.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7150 6.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8857 7.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6668 4.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4962 2.5592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 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 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END