MMs01579879 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 44 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 -0.0129 -1.4999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0129 -2.6999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2797 -2.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2669 -3.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5594 -4.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8648 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8777 -2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5851 -1.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0223 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1574 -4.5444 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3183 -2.2388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6108 -1.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.0223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9162 -2.2165 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9162 -1.0165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9291 -3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2088 -1.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5142 -2.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5271 -3.6942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8068 -1.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7939 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0865 0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3919 0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4048 -1.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1122 -2.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7102 -2.1498 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.0028 -1.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7230 -3.6497 0.0000 O 0 5 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 -1.2000 0.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2225 -4.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 -5.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 -1.6922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3285 -3.4387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1291 -3.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9394 -4.9164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7291 -3.7268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7496 0.6579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0762 2.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4260 0.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1225 -3.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 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 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END