MMs02229595 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 58 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 -1.2960 -0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6042 1.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3082 2.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0061 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2898 2.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 3.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5919 1.5106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8879 2.2659 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8879 1.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 1.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4859 2.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7880 1.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0840 2.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8818 3.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1777 4.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 -0.7659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 -0.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4921 -0.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4859 -2.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7819 -3.0318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0840 -2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0901 -0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -0.0318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3922 -0.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3983 1.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6882 -0.7978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.7299 -0.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6821 -2.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3800 -3.0424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9780 -3.0531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8879 -2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1839 -3.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5858 -3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5797 -4.5106 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -0.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2911 -1.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6459 2.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3131 3.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5968 0.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4224 0.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9651 0.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7108 3.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2535 3.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4285 0.9012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9712 0.8949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9651 -2.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0197 -2.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9731 -4.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -1.8813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4032 -3.2141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5797 4.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5748 5.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8358 -0.5639 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 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 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 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 53 1 0 0 0 0 16 17 2 0 0 0 0 16 54 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 31 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 51 1 0 0 0 0 35 52 1 0 0 0 0 53 56 1 0 0 0 0 54 55 1 0 0 0 0 M END