MMs01794401 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 0.7439 -1.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0121 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2439 -1.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0140 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6000 1.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 1.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1048 1.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2439 -1.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4879 -2.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7439 -1.3305 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9439 -1.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4878 -2.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7318 -3.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2318 -3.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4757 -5.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2197 -6.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7197 -6.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4757 -5.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7560 1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5120 2.5631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0120 2.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7680 3.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2680 3.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0120 2.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2559 1.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7559 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7438 -1.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 0.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5952 1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -0.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4561 -1.3025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0485 -1.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6169 -3.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0243 -3.2029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -2.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3696 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4107 -1.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 -3.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9342 -3.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2758 -5.2115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6149 -7.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3148 -7.5686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6757 -5.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 1.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1729 4.8937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8729 4.8811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2120 2.5366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8511 0.2046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0121 2.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4169 3.6261 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 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 54 1 0 0 0 0 9 10 1 0 0 0 0 9 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 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 54 55 1 0 0 0 0 M END