MMs01389846 MOE2007 2D CORINA 3.40 0006 02.08.2006 68 72 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 0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3909 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8139 -0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0341 -1.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8024 0.7790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3724 1.2317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 2.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0092 1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3841 1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5909 1.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4227 3.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0478 4.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 3.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9382 -2.6254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9504 -3.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4734 -2.9485 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1504 -1.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7965 -4.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9914 -3.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0035 -2.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4683 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 -3.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9088 -5.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -4.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4318 -5.8086 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.4805 -1.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0279 0.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9453 -1.7036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9575 -0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4223 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4344 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1338 1.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4385 2.3971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5730 3.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5455 1.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9250 0.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7974 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2903 -1.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9109 0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0385 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0092 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 -0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0364 3.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 3.7931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7596 2.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5187 -0.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6908 1.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3881 4.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9133 5.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7411 3.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -4.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -4.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -2.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6414 -1.0204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0928 -4.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2709 -6.1687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3074 -2.8476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9447 0.0471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4155 0.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9643 -2.0287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4350 -1.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0413 2.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3009 -2.2934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9882 -2.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1052 0.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5349 2.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 15 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 9 1 0 0 0 0 7 8 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 49 1 0 0 0 0 12 13 2 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 56 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 2 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 41 2 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 38 65 1 0 0 0 0 39 40 2 0 0 0 0 39 66 1 0 0 0 0 40 41 1 0 0 0 0 40 67 1 0 0 0 0 41 68 1 0 0 0 0 M END