MMs02455743 MOE2007 2D CORINA 3.40 0006 02.08.2006 68 69 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 -0.7446 -1.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0108 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2446 -1.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9892 -2.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4892 -2.6167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8892 -1.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2338 -3.9189 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8338 -4.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7338 -3.9251 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.9338 -3.9251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4892 -2.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.0892 -1.5899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7446 -1.3270 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1446 -0.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2446 -1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 -0.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7553 1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5107 2.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2553 1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9891 -2.6354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7445 -1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 -0.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2445 -1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9999 -0.0498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4999 -0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2445 -1.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2553 1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7553 1.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5106 2.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0106 2.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7660 3.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0214 5.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5214 5.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7660 3.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4784 -5.2272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7230 -6.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4676 -7.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2230 -6.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4784 -5.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9784 -5.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 -6.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2338 -3.9064 0.0000 C 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 0.5957 1.0417 0.0000 H 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 -2.4245 -2.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1927 -3.7931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2504 0.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0554 1.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2603 2.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5848 -3.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0312 -2.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3704 -1.7608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4042 0.9919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5420 0.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8812 0.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6063 1.4817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.9660 3.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6257 6.1582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9257 6.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5660 3.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 -7.7169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 -6.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -5.3169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1921 -4.5021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -3.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2755 -3.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 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 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 33 34 2 0 0 0 0 33 60 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 63 1 0 0 0 0 39 64 1 0 0 0 0 39 65 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 66 1 0 0 0 0 43 67 1 0 0 0 0 43 68 1 0 0 0 0 M END