MMs01381248 MOE2007 2D CORINA 3.40 0006 02.08.2006 66 69 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 1.4910 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3785 1.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8695 0.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5855 -1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 -1.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4821 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1773 2.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8494 0.0013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6855 -1.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7954 -2.4988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2168 -1.7945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1521 0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4403 -1.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7357 -2.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0383 -1.5237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0455 -0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7501 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3337 -2.2799 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.0900 -0.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5775 -3.5753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6292 -3.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6219 -4.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9174 -5.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2200 -4.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2272 -3.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9318 -2.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5154 -5.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8180 -4.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5082 -6.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1312 1.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1928 0.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1312 -1.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 0.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3025 1.5765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7148 2.1972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7916 2.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0353 1.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6615 -2.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2492 -2.8531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9288 -1.8219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 -2.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7234 -2.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3852 1.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9278 1.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0244 -2.6368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2595 -1.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9599 -3.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5026 -3.1904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2263 -0.2378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4614 1.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5259 1.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9832 1.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5798 -5.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9116 -6.4924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2693 -2.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9376 -1.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5546 -5.9049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4130 -5.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8601 -3.9661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2230 -3.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3082 -6.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5024 -8.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7082 -6.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4475 -0.0112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 66 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 66 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 19 66 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 M END