MMs00032257 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 -1.4406 0.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5228 -0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1644 -2.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7238 -2.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 -1.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 -1.8744 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0791 -3.2662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5788 -3.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2062 -4.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5335 -2.1360 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8440 -3.2951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9590 -2.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0757 -1.6001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7670 -0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3414 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2245 -0.6668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9103 1.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5012 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8099 -3.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6181 -1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0437 -1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1606 -0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5862 -0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7031 0.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8657 0.8309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7274 1.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -3.6605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5394 -4.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3936 -3.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9034 -3.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9663 -0.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9366 1.0558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9071 1.3928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3974 1.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6741 -0.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1838 -0.0072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4780 -2.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9877 -2.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2166 0.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7263 0.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8948 -2.4654 0.0000 O 0 5 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 8 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 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 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 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 22 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 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 M CHG 1 43 -1 M END