MMs00029790 MOE2007 2D CORINA 3.40 0006 02.08.2006 66 70 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 0.8101 -1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1218 -2.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 -1.1921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1185 -2.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6169 -2.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3051 -1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4951 0.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9967 0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8035 -0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6136 -2.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4918 0.3517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8181 1.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8845 2.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2173 2.0585 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2173 3.2585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9745 0.5782 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1337 0.8888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9799 -0.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4141 -1.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4770 -0.4411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3795 -1.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7978 -1.1512 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.7978 -2.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7720 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3384 0.7886 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1869 1.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9152 2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0275 3.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5255 2.7923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0264 -2.0118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3860 -1.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5170 0.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6145 -2.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9741 -1.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2859 -2.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3832 -1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7495 0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2607 -0.1328 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 0.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6481 1.0100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -0.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0114 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3821 -3.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 -3.5745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 -2.7413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9051 -2.0907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 0.4424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2315 1.3817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8511 0.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1494 1.3309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3131 1.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0680 2.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9560 3.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5435 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3507 -2.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8864 -2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9674 0.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0019 1.5264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4504 3.9899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9215 -3.2072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7658 -3.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3026 -3.2219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4319 -3.5238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5611 -1.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3315 1.0991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 48 1 0 0 0 0 8 49 1 0 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 54 1 0 0 0 0 14 55 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 31 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 36 2 0 0 0 0 35 39 1 0 0 0 0 36 37 1 0 0 0 0 36 64 1 0 0 0 0 37 38 2 0 0 0 0 37 65 1 0 0 0 0 38 39 1 0 0 0 0 38 66 1 0 0 0 0 M END