MMs01798651 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 62 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 1.2947 -0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2862 -2.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -0.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4908 -0.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8026 1.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5079 2.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2046 1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 2.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4727 1.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4828 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7402 3.9926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2712 3.6891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3581 5.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8507 5.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4686 6.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5939 8.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1012 7.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4833 6.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7763 0.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2002 -0.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6556 -1.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7670 -2.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1556 -1.7980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6272 -0.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0564 0.0813 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4187 0.5145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.0303 -3.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5230 -2.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3977 -4.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7798 -5.4536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6059 1.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0358 0.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 -1.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2555 -1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0862 -2.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2794 -3.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4862 -2.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8319 0.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3746 0.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 -1.9869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8299 -0.6503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5147 3.4130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1688 2.0763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6755 2.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5505 4.5329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6627 6.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0882 9.1865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4014 8.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2892 6.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8799 -0.6865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9488 -3.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3545 -4.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1988 -1.7129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6045 -2.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8904 -3.9385 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 22 53 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 30 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 M CHG 1 59 -1 M END