MMs01807112 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 0.0062 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3144 -3.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0185 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6165 -4.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -3.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2146 -4.4787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2207 -5.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9248 -6.7340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6227 -5.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3267 -6.7446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5228 -6.7233 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8188 -5.9680 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8188 -7.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9694 -4.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4354 -4.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0399 -2.7849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1907 -5.4536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1916 -6.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5095 -8.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6831 -5.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2988 -6.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7912 -7.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6679 -5.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0522 -4.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5598 -4.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9289 -3.3207 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 -0.0049 1.2000 0.0000 H 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 -1.1765 -1.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3996 -2.6293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9075 -2.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -6.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3316 -7.9446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7695 -4.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8391 -3.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5975 -7.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2838 -8.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8619 -6.0262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0672 -3.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 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 11 2 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 42 1 0 0 0 0 M END