MMs03388294 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 1.2954 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8934 0.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2034 -1.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5061 -2.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8014 -1.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4915 0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1041 -2.2057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2681 -3.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7369 -4.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4805 -2.6988 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.4714 -1.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2151 -0.2863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7217 0.8076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6838 -0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8479 -2.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2211 -2.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3852 -4.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4304 -1.7979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2663 -0.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4755 0.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8931 0.2965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7290 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8036 -2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0129 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8488 -0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3861 -2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 -0.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5196 1.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 1.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8312 -0.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 -0.9029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1176 1.6844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6603 1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1671 -2.0798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5119 -3.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8304 0.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4856 1.9816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0682 -3.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1485 -4.8908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3716 -5.1445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8355 -4.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9218 1.9188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5978 2.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5362 1.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1375 -3.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6709 -3.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8162 0.6873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2995 0.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9034 -3.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4847 -2.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8689 -1.0186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 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 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 M CHG 1 14 1 M END