MMs02502807 MOE2007 2D CORINA 3.40 0006 02.08.2006 83 89 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 1.2928 0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2805 2.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0213 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5980 1.2213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8908 0.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 -1.4573 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2475 -0.8573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9154 -2.2180 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8762 -2.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6103 -1.4786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9277 -3.7179 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9277 -4.9179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2329 -4.4572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2721 -5.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5257 -3.6966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5649 -3.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5134 -2.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8309 -4.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1237 -3.6753 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1237 -4.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4288 -4.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4411 -5.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7463 -6.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0391 -5.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0268 -4.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7217 -3.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7094 -2.1541 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7486 -2.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4043 -1.4147 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2528 -0.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1114 -2.1754 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1506 -2.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5873 0.1944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0804 0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0749 1.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0022 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9899 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2828 0.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5879 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6002 -1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3074 -2.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9054 -2.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9177 -3.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8808 0.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1859 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2705 2.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5633 3.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1620 -6.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5632 -8.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0702 -8.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2452 -5.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6349 -4.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 1.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0343 -0.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6085 -1.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2536 1.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4805 2.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2707 3.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0806 2.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5971 1.1736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3794 -0.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4069 -6.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0611 -3.7848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2911 -2.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9444 -0.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9458 0.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3172 -3.3327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7177 -3.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9275 -4.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1176 -3.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5945 -0.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2300 -0.4424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7774 1.1932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1718 2.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5976 3.7362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9548 4.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7075 -8.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3233 -9.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2109 -6.5657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6447 -5.6785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 56 1 0 0 0 0 1 57 1 0 0 0 0 1 58 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 59 1 0 0 0 0 3 60 1 0 0 0 0 3 61 1 0 0 0 0 3 62 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 63 1 0 0 0 0 7 64 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 55 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 54 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 33 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 65 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 66 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 39 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 37 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 37 1 0 0 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