MMs01656317 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 53 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 1.4942 -0.1322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8942 0.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3557 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8499 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4825 -0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6209 -1.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5225 -2.8233 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9412 -2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9165 -0.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2030 -0.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1783 1.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5142 -0.7938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5389 -2.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2524 -3.0649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8007 -0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1120 -0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1367 -2.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3985 0.0203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3738 1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6603 2.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6356 3.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9715 1.5628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9962 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7097 -0.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7344 -2.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0456 -2.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3321 -2.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3074 -0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1267 -1.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1058 1.1953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1953 0.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1058 -1.1953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2687 1.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 2.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7465 2.1590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0093 1.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5879 -2.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0144 0.8839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5569 0.9093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1956 1.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9448 2.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0007 2.1799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7052 -2.8251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0654 -4.1364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3811 -2.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3366 -0.0484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9673 -1.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2302 -2.6878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 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 16 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 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 25 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 M END