MMs03082537 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 58 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 -1.2956 0.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2888 2.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5844 3.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0136 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0191 4.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3092 2.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6117 2.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3024 0.7441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0118 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5588 -0.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7481 -1.5043 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0586 -2.6634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2139 -1.8228 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3730 -2.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9697 -0.5272 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2803 0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9711 0.5921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4622 -0.3772 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6622 -0.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0785 0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2024 2.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3384 -1.5947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8309 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4472 -0.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7070 -2.6622 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3070 -3.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1995 -2.5122 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3586 -2.2016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0757 -3.7297 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6757 -4.7689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5681 -3.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4443 -4.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9368 -4.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8129 -5.8647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5531 -3.2796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4593 -5.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1603 -6.0712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8158 -1.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0098 -1.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 -3.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 -4.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6288 -2.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -3.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6049 -1.4882 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0054 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8453 -2.6887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2426 -2.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6491 -3.0585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7471 -3.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8522 -2.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 1.1404 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0907 -4.0297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8967 -4.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7916 -5.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8937 0.7677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 45 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 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 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 41 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 21 1 0 0 0 0 19 23 1 0 0 0 0 21 22 2 0 0 0 0 21 53 1 0 0 0 0 23 24 1 0 0 0 0 23 48 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 28 1 0 0 0 0 26 54 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 39 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 37 1 0 0 0 0 32 33 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 51 1 0 0 0 0 36 52 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 45 57 2 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 M CHG 1 46 -1 M CHG 1 53 -1 M END