MMs00030828 MOE2007 2D CORINA 3.40 0006 02.08.2006 76 80 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 0.7262 -1.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7736 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5019 -2.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7303 -3.9352 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9303 -3.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7695 -3.9102 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4977 -2.5989 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9220 -3.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9975 -2.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7258 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 0.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9392 1.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 0.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1876 -0.9262 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6059 1.3395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9172 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9422 -0.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2036 1.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1786 2.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4649 3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7763 2.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8013 1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5149 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5399 -0.8452 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8672 3.6109 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4544 -0.0011 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0544 1.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6829 1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 2.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9109 2.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 3.8829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8602 3.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3678 5.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5963 6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9035 6.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6751 7.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9468 9.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 9.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 7.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7552 -5.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0478 -4.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0074 -6.1944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 -5.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5809 1.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -0.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -0.1524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9079 -0.9459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4338 -1.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4081 -3.4354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9032 -3.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1318 -2.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5859 2.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4449 4.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8054 3.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8504 0.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2234 0.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2491 2.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 5.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 3.8379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 2.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2998 4.4384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2741 5.9808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4861 5.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8749 7.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5641 10.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1356 10.1274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 7.8120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4447 -5.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7438 -6.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9552 -5.4216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2682 -4.1369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2236 -4.9351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0301 -6.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6584 -5.2666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 48 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 50 1 0 0 0 0 4 51 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 44 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 54 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 22 23 2 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 35 40 2 0 0 0 0 36 37 2 0 0 0 0 36 65 1 0 0 0 0 37 38 1 0 0 0 0 37 66 1 0 0 0 0 38 39 2 0 0 0 0 38 67 1 0 0 0 0 39 40 1 0 0 0 0 39 68 1 0 0 0 0 40 69 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 42 43 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 43 75 1 0 0 0 0 44 76 1 0 0 0 0 M END