MMs01656462 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 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 1.3009 -0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -0.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9028 -2.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6056 -2.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3047 -2.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6094 -4.4934 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9103 -5.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3123 -5.2467 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2037 -2.9869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5008 -2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4971 -0.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8018 -2.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0989 -2.2271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0951 -0.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6932 -0.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6970 -2.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 -2.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4036 -4.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1247 -2.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0033 -1.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1186 -0.2534 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.5033 -1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5919 -4.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5974 1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0407 0.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5974 -1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 1.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9367 -0.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -2.8493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2067 -4.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0327 -3.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5754 -3.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0544 -0.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5064 -2.6609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7033 -1.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5003 -0.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4515 -4.4795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9656 -5.2462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7322 -3.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END