MMs01854074 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 43 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 0.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 -1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2462 1.3056 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8462 2.3448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4924 2.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2386 3.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4848 5.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7462 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7538 -1.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7538 -1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2538 -1.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0075 -2.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5075 -2.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2537 -1.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7537 -1.2618 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7581 -2.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7494 0.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2537 -1.2574 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 14.8568 -2.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0035 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2163 -1.8955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8568 -2.3299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2913 -0.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 5.8035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8818 6.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4473 4.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3432 2.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5969 1.0585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6273 -1.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9656 -2.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4106 -3.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1106 -3.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0969 1.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3969 1.0637 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 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 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 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 24 -1 M END