MMs01640417 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 55 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 -1.0315 -1.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6041 -2.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4904 -0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9178 0.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3767 1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4082 -0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9807 -1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5219 -1.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8671 0.3060 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.1041 1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1448 2.6538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2932 0.2401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7911 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6395 -2.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2917 -1.1327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7318 0.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8189 -0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4673 -1.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2576 0.0558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.3446 -0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7833 -0.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1348 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5735 1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6605 0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3090 -1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8703 -1.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.3960 -2.1957 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.8742 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8712 -0.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8252 0.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8712 0.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1276 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7543 -2.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2621 -3.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5462 -2.1849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0926 1.5688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5476 1.6214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8059 -2.3519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1799 -2.9796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5602 -2.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1974 1.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6972 1.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5388 1.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3793 -1.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8790 -2.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2652 1.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8547 2.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.8114 0.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5891 -2.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9747 0.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4771 1.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7737 2.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END