MMs00398918 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 -1.5000 0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2587 -1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5175 -2.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0175 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7237 -3.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2236 -3.9122 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6236 -4.9514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0971 -5.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -6.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5268 -4.6778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5369 -3.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7564 -2.3044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 -2.9237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3420 -2.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7081 -2.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8549 -4.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2210 -4.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4405 -3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2938 -2.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9276 -1.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8066 -4.5276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1135 -2.7047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2763 -3.8818 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7762 -3.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5351 -5.1859 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6070 1.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0929 1.0534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4587 -1.2757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9412 -1.3122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 -4.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9241 -5.0852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4928 -5.3897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2246 -0.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8793 -4.8612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3384 -5.9760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2693 -1.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8102 -0.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7822 -3.8288 0.0000 H 0 0 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 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 34 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END