MMs00026777 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 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 1.4961 0.1077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4627 -1.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8523 -0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7446 1.0215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2884 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 -1.2668 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9183 0.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3337 -2.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3997 -2.0591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7227 -1.3522 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7227 -2.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7719 0.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0949 0.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3686 0.0617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3193 -1.4375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3193 -2.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9964 -2.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5931 -2.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5438 -3.7289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9160 -1.5228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9653 -0.0236 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9653 1.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6916 0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7408 2.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2882 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5620 -0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8849 0.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1586 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1094 -1.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7864 -2.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5127 -1.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0862 1.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1969 -0.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0862 -1.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1748 -2.2043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 2.4931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3603 -3.2585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5840 -0.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3988 1.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 1.7980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8960 1.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1953 -3.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7371 -3.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9350 -2.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5475 1.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0894 1.5767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9243 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2170 0.3713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1283 -2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7470 -3.5998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4543 -2.1737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 M END