MMs02069474 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 50 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 -1.2965 -0.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6032 1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3067 2.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9048 2.2366 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8656 2.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2013 1.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5029 2.2277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7993 1.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -0.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1009 2.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1061 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4077 4.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7041 3.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6990 2.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3974 1.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9954 1.4555 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -13.7499 2.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2410 0.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2919 0.7010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.4436 -0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9097 -1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6642 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6643 1.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0057 4.4555 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9099 3.7366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0413 -0.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2924 -1.9544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6352 -0.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3108 3.4455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 2.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4268 0.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9695 0.5603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5070 3.4277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0689 4.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4118 5.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3933 0.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2436 -0.7872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3141 -1.9843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5350 -2.2481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0043 -1.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6326 -0.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4702 1.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0679 2.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6375 2.0085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9512 4.3331 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 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 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 28 48 1 0 0 0 0 M END