MMs00956696 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 67 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 1.4999 -0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2609 1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7389 -1.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -1.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4779 -2.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.0506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7607 1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0217 2.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2607 1.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4996 -0.0885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2605 1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5215 2.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0216 2.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2826 3.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7826 3.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0436 5.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8045 6.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3044 6.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0435 5.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0655 7.7434 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.5346 3.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8997 2.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7303 1.5037 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2050 3.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2177 5.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4977 2.9722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8030 3.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1681 3.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1812 4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4422 5.5011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0874 6.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9724 5.2016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6716 4.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2351 5.0855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2388 -1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 2.3243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3696 2.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6302 -2.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4337 -3.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0692 -3.6802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5222 -2.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5910 -1.0948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4782 3.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8436 5.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9132 7.4596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6435 5.1151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4876 1.7722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4077 1.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5361 2.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8639 3.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8071 5.2188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1336 5.8809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6660 5.2757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2046 -0.7598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6300 -2.4027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2729 -1.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 44 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 45 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 49 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 25 26 2 0 0 0 0 25 38 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 32 2 0 0 0 0 31 36 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 33 34 2 0 0 0 0 33 37 1 0 0 0 0 34 36 1 0 0 0 0 35 36 1 0 0 0 0 37 56 1 0 0 0 0 37 57 1 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 39 61 1 0 0 0 0 39 62 1 0 0 0 0 39 63 1 0 0 0 0 M END