MMs00031565 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 58 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 1.4192 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5494 -0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 -0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2577 1.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1276 2.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7084 1.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6770 1.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9661 3.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8071 0.9558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2263 1.4413 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9158 0.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6677 2.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1676 2.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6531 1.4788 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5016 2.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4534 0.5785 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8534 -0.4607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9389 -0.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4387 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8801 0.6160 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7286 -0.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2994 1.1016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4295 0.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1403 -1.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8487 0.6008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9788 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6897 -1.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8198 -2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2390 -2.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5282 -0.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3981 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3691 -3.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7884 -2.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0800 -4.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3884 1.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 -0.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3884 -1.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -1.6783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8727 -0.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3589 3.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8043 2.7465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5758 -0.2217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4903 3.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7747 4.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3317 -2.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6162 -1.0489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0800 1.7783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5543 -2.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -4.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6636 -0.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6294 1.2775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9025 -4.5851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8487 -5.9939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2575 -5.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 M END