MMs01165381 MOE2007 2D CORINA 3.40 0006 02.08.2006 65 67 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 1.2994 0.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8975 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4956 0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0937 0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0944 2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7958 2.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4964 2.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3939 2.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3947 4.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6925 2.2439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 0.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2898 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2906 2.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9919 2.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6636 0.2367 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.2636 -0.8026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9129 -1.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4458 -0.7493 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.1554 0.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7662 1.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0365 -0.8213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5283 -0.6653 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.2177 -1.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4094 -1.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1392 0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6310 0.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5995 1.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0395 -0.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5995 -1.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5286 1.6690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0713 1.6682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8262 -0.9202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3689 -0.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1266 1.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6693 1.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7936 -1.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1326 0.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7964 4.1959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4575 2.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5101 0.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2807 -0.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2186 -0.9256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7612 -0.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4723 2.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7016 3.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2211 3.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7638 3.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0089 -1.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5415 -2.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5478 -1.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4382 -2.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1142 -2.8505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3806 -1.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9750 0.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2235 1.9017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7558 -0.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8245 0.9855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5062 2.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6604 1.3519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9106 2.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 17 64 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 20 64 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 64 65 1 0 0 0 0 M END