MMs01174409 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 1.3949 -0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6147 -2.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0096 -2.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1848 -1.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9649 -0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 0.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5797 -2.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7548 -1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1997 -1.6767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0970 0.7482 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6913 0.2247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5279 -0.3634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3322 -1.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8309 -1.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5252 -0.2364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7209 1.0297 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1209 2.0689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2222 0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4152 2.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0238 -0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7182 1.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8282 -1.4390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3268 -1.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0212 -0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5198 0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3241 -1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6298 -2.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1311 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8228 -1.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4412 1.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1159 0.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4412 -1.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6746 -2.7812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1855 -3.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 0.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3942 1.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9514 -3.2286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4774 -3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2230 -2.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5904 -2.8014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6727 -2.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9748 -1.9284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0782 1.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3804 2.1558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4789 1.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9707 3.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3515 2.9148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2727 -2.5027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3777 0.9670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0753 1.0813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2733 -3.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5757 -3.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8736 -2.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0217 -1.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7720 0.0139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 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 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 M END