MMs01690409 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 -1.3032 -0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3116 -2.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2865 -2.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2948 -0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9649 -0.6322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9748 0.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 1.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7631 1.4764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4657 0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3541 1.5204 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8450 1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5878 0.0520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0567 0.3557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2218 1.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8549 2.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5250 2.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8199 1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1231 2.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1314 4.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8366 4.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5334 4.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 -2.9855 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3391 -0.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0234 -4.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3223 -2.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 -0.8399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5413 -0.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5250 1.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0434 0.9172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5861 0.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5272 1.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3060 2.7767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3120 3.8599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5481 5.2002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6130 5.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0704 5.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3505 3.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1293 5.2192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 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 19 24 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END