MMs02458851 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 54 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 -0.7390 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 -1.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 -0.0382 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8998 1.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2608 1.2545 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8608 2.2937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7608 1.2418 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.9608 1.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4997 -0.0636 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.0997 -1.1028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7387 -1.3562 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1387 -2.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2388 -1.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4777 -2.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7167 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2168 -3.9415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4557 -5.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9997 -0.0763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7386 -1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9776 -2.6743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2386 -1.3944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.9775 -2.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4775 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2164 -4.0178 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -11.9996 -0.1018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4995 -0.1145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5218 2.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0217 2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5219 2.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2829 3.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5439 5.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7828 3.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0443 -0.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 0.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8758 0.3945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2183 1.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5000 -4.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0468 -6.3038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4114 -5.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6085 0.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8465 -3.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1759 -3.8832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2791 -1.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6086 -2.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0319 3.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2217 2.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0115 1.3217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7930 5.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9828 3.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7726 2.6398 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 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 28 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 52 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 M END