MMs02493699 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 66 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 0.7456 -1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2456 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9912 -2.6083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2367 -3.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9823 -5.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7368 -3.8996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1332 -4.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0088 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5088 -2.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4911 -2.6134 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1806 -1.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3687 -3.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7968 -3.3712 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7968 -4.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8019 -1.8712 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8019 -0.6712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3769 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0185 -0.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3867 -1.6084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6032 -0.7309 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.4808 -1.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8197 0.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1880 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4045 0.4095 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.7151 -0.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4096 1.9095 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.4096 3.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8377 2.3681 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.9968 2.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7153 1.1516 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3153 0.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8295 -0.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2153 1.1465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1011 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5261 1.8887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5210 0.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0928 -0.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7760 -1.5361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8873 -2.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3154 -2.0849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6323 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3061 3.7932 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.1990 2.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3285 3.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0074 -4.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8779 -5.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0413 0.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5965 1.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0413 -0.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8491 -0.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3274 -4.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 -4.9278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1581 -0.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6929 -0.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5136 -1.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0483 -1.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7341 3.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6338 -3.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7257 0.4857 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 23.0604 -0.1601 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 23.9495 -0.9661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 3 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 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 16 1 0 0 0 0 14 46 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 60 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 44 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 43 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 35 36 2 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 42 2 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 59 1 0 0 0 0 41 42 1 0 0 0 0 42 61 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 43 -1 M CHG 1 60 -1 M END