MMs00646294 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 -0.5731 -1.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3408 -2.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8279 -2.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 -0.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 0.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 -1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8698 0.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2476 -2.5676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9691 -3.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8525 -4.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6338 -3.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8232 -2.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2094 -2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4062 -4.2869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3988 -1.8859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7850 -2.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9818 -3.9461 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9744 -1.5451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3606 -2.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5574 -3.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9436 -4.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1331 -3.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9363 -1.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5501 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3533 0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1565 1.7698 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.8662 0.0860 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.8403 0.4796 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7312 0.9515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7627 -1.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1176 -3.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9455 1.3058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9897 -4.1532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5191 -3.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 -1.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4673 -1.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2414 -0.6963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8170 -0.3555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6059 -4.3364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1011 -5.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2420 -3.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8878 -1.0462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 M END