MMs02561476 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 61 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 1.5000 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 1.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 2.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8991 3.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0162 4.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3135 4.2074 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9982 2.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9993 1.6238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4672 1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9341 3.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4683 0.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9363 1.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9374 0.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6221 -1.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9194 -2.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0364 -1.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4295 0.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5029 -1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5092 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9757 -0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4359 -2.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4296 -3.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9631 -2.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9568 -4.0672 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 19.9024 -2.4730 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0015 -0.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5346 -2.0358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4327 4.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4264 3.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0401 3.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5003 4.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 6.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9725 5.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9668 5.2205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 6.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0028 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2889 -1.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6267 -0.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8936 6.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6258 0.4834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3098 2.2641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5247 -1.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0420 -3.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1410 0.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7807 0.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7977 -4.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7945 2.0201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8452 2.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1378 7.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7775 6.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2849 7.0163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7952 7.7903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 6.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 42 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 19 20 1 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 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 29 30 3 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 34 35 2 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 54 1 0 0 0 0 36 55 1 0 0 0 0 37 38 1 0 0 0 0 38 56 1 0 0 0 0 38 57 1 0 0 0 0 38 58 1 0 0 0 0 M END