MMs02445538 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 40 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 1.4976 0.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8656 0.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8735 -0.4115 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1841 0.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1284 -1.7134 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5284 -2.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6601 -1.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1363 -2.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -4.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5043 -2.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 -0.7178 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3812 -1.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4528 0.2901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2904 1.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6584 2.3965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9212 -0.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6761 -1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1761 -1.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9212 -0.0049 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.1663 1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9114 2.5931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4212 0.0007 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7202 1.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0673 1.1981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1981 -0.0673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0673 -1.1981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6901 -4.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7248 -5.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2489 2.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7800 -2.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1114 2.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3075 3.6301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7465 1.9889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0983 2.3932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 0.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 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 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 M CHG 1 21 1 M CHG 1 24 -1 M END