MMs00215813 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 0.7407 -1.3043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0185 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2407 -1.3150 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -2.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 0.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7407 -1.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7406 -1.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9814 -2.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4814 -2.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2405 -1.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9813 -2.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0641 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3994 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5213 2.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3751 3.7992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8149 1.5471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4926 0.0821 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6517 0.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4884 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0147 -2.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0104 -3.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4798 -3.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9535 -1.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9578 -0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1896 2.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3570 3.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1498 4.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3172 6.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6918 6.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8990 5.7290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7316 4.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9345 1.6329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0435 0.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5926 1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0435 -0.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0534 -1.9906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6259 -3.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -3.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9073 1.0114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6072 0.9922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5739 -3.6842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -3.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8392 -2.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6315 -4.7234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2764 -4.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1290 -1.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 0.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4716 0.9810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3872 2.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0501 4.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3514 6.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8257 7.8118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6974 3.5261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -1.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 57 1 0 0 0 0 16 17 1 0 0 0 0 16 35 2 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 28 1 0 0 0 0 20 21 1 0 0 0 0 20 22 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 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 33 2 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 34 56 1 0 0 0 0 M END