MMs01494961 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 51 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 0.7437 -1.3027 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4563 -1.3027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0127 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -3.9007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5127 -2.5907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -3.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -3.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5253 -5.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7816 -6.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2817 -6.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5253 -5.1888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -7.7722 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.5126 -2.5761 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2563 1.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2563 1.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7563 1.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7436 -1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2436 -1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0439 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9926 -1.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0072 1.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 -0.0512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3875 1.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8118 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8045 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3756 -1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 0.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5949 1.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 -0.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1076 -1.5486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7253 -5.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6867 -7.5263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6614 2.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3613 2.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3385 -2.3741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6385 -2.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3512 1.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8809 2.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0670 1.8601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0046 0.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9985 -0.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0482 -1.9874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3335 -1.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8584 -2.3677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 35 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 14 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 37 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 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 31 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 M END