MMs02245907 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 60 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 -1.3022 0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3085 2.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0126 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2896 2.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2959 0.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8939 0.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 -1.4891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9065 -2.2336 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8673 -2.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2024 -1.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5046 -2.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8005 -1.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1026 -2.2118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9128 -3.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 -4.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6107 2.9891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9065 2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2087 2.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5046 2.2227 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4654 1.6227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4983 0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -0.0327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0963 0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1026 2.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4048 2.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4111 4.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7007 2.2009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6944 0.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3922 -0.0436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3872 -1.2436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9903 -0.0546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8068 2.9672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8131 4.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5172 5.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3389 0.1402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0176 4.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3263 2.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5677 -2.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -0.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9699 -0.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7371 -3.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2798 -3.1387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6157 4.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1313 1.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 1.3111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4412 3.9006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9839 3.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3174 0.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0831 -0.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7891 -1.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0320 0.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9852 -1.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8548 5.0629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0327 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2150 -4.4781 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 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 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 57 1 0 0 0 0 16 17 2 0 0 0 0 16 58 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 31 1 0 0 0 0 26 27 1 0 0 0 0 26 34 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 56 1 0 0 0 0 M CHG 1 57 -1 M CHG 1 58 -1 M END