MMs03642280 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 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 1.2982 0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2964 2.2515 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2964 3.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5946 3.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8945 2.2545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5928 4.5030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 5.2545 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8518 5.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1909 4.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4891 5.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4873 6.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1874 7.5060 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2267 8.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8893 6.7545 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8893 7.9545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5894 7.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 8.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1857 9.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2242 9.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7890 4.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7907 3.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0872 5.2606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3871 4.5121 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3871 5.7121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6852 5.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9851 4.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6835 6.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3888 3.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6887 2.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3017 2.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3006 0.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 -0.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6012 -1.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2982 -0.4485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9993 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -0.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1969 1.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5529 5.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1923 3.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6694 6.5505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8965 7.8857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0858 6.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7245 5.8636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3864 3.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0251 3.9163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5839 5.5550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8835 6.7650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6821 7.9636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4835 6.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9029 3.2870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3402 1.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 1.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0906 2.2606 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0035 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0049 4.2000 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 6 1 0 0 0 0 4 56 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 55 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 56 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 55 -1 M END