MMs00666926 MOE2007 2D CORINA 3.40 0006 02.08.2006 36 37 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 1.3051 0.7395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3172 2.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6223 2.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6344 4.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 5.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0364 4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0243 2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2808 2.2604 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3536 6.7393 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9152 2.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9031 0.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 2.9579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5132 2.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 0.6974 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8182 2.9369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1112 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0990 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3920 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6970 0.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7092 2.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4162 2.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9900 -0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9778 -1.6050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5916 1.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -0.5916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5916 -1.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6784 5.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9979 5.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 4.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8279 4.1368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0550 0.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3823 -1.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7532 2.7469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4259 4.1158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2950 0.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 11 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 2 0 0 0 0 M CHG 1 24 -1 M END