MMs02233452 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 63 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 0.7502 -1.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2502 -1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7498 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 2.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0964 3.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3098 4.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6802 4.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8372 2.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6238 1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4672 0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 -0.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0086 -0.2274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1234 -1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8117 -2.6982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5499 -0.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6648 -1.7708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9753 -0.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3531 -3.2381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5531 -3.2381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3569 -4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6071 -5.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1398 -5.3401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9828 -3.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2174 -7.0221 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.0913 -1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4030 0.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2061 -2.3107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6327 -1.8470 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.7918 -1.5364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7475 -2.8505 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.7083 -3.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2147 -2.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9648 -3.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9613 -4.9523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5909 -4.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4566 -3.9940 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.9443 -0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3709 0.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1503 -2.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 -2.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1497 2.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0001 4.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1842 5.9812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 4.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9335 2.1981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1566 -0.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6365 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1455 -1.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7993 0.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5503 -4.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2481 -6.1432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9568 -3.4845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7026 -1.4422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2109 -6.1260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8295 0.6238 0.0000 O 0 5 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 42 1 0 0 0 0 2 3 2 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 44 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 47 1 0 0 0 0 10 11 2 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 49 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 40 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 38 1 0 0 0 0 35 36 2 0 0 0 0 35 57 1 0 0 0 0 36 37 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 37 58 1 0 0 0 0 40 41 2 0 0 0 0 40 59 1 0 0 0 0 M CHG 1 59 -1 M END