MMs01282997 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 58 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 -0.7553 1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2552 1.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2447 -1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7447 -1.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2552 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5105 2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2657 3.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7657 3.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5105 2.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7552 1.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 -0.0304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 -0.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7552 1.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7447 -1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9999 -0.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4999 -0.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2446 -1.3567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4894 -2.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9894 -2.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7446 -1.3628 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -15.7385 -2.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7507 0.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.2446 -1.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1214 -2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.5498 -2.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.5559 -0.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1312 -0.1589 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.5210 5.1657 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1595 2.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8594 2.3267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8405 -2.3498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1405 -2.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3105 2.5847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6700 4.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7104 2.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8957 -1.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6154 -1.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9483 -2.5211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2131 1.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8739 0.3664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2963 1.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6292 0.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6153 -3.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2762 -3.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1930 -3.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8601 -3.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7459 -3.7257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.5178 -2.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.5295 0.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2446 -1.3446 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.6446 -2.3838 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END