MMs02494779 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 -1.2947 0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6067 -1.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3121 -2.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9101 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9188 -3.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2048 -1.4698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5081 -2.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8028 -1.4547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.8028 -2.6547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9509 0.0379 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.2615 1.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4163 0.3583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.5754 0.6689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1738 -0.9364 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.4844 -2.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1766 -2.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6665 -1.0845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6637 0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0376 -0.5661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.8894 -2.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4240 -2.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9688 -3.8084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7965 -4.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9790 -4.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4443 -4.5969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.8996 -3.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3650 -2.8473 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.0185 1.7321 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.8304 1.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0731 2.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 0.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2877 1.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6338 0.6211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -3.4424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -2.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7421 -3.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2848 -3.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4074 1.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6148 -6.0607 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 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 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 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 32 33 1 0 0 0 0 M CHG 1 31 -1 M END