MMs02596746 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 57 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 1.5000 -0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2405 -1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7405 -1.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7215 -3.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4621 -5.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7026 -6.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4432 -7.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9809 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7404 -1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2403 -1.3590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4926 0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8152 1.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5216 2.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3996 1.3092 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3757 3.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1899 2.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4882 -1.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0143 -2.4647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9577 -0.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9532 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4227 -1.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0087 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3002 1.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6305 0.3913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1099 -1.7176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4403 -2.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5407 -0.1430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 -0.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7967 -4.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8079 -3.1463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3869 -4.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3757 -6.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 -5.7443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7778 -7.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3996 -8.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0356 -8.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4867 -7.2343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1056 -3.0603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7640 -3.8219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 -2.4026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5700 3.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2589 4.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1814 3.6809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6700 1.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2897 2.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7098 3.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9310 -2.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3946 -2.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6636 -2.7367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5982 -1.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1817 -0.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.6307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 57 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 57 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 9 57 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 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 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 M END