MMs00686214 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 1.3405 0.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4279 2.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7685 2.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0216 2.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9342 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5937 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3621 2.6921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6153 1.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6849 0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1314 -0.0275 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2829 -0.8760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9558 1.2256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 2.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4156 3.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4542 1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1431 2.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6415 2.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4510 1.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7621 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2637 0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9494 1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6606 -1.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1407 -1.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6700 -3.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7191 -4.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2390 -3.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7097 -2.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2881 -5.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 -4.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2483 -5.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7284 -5.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5384 1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0724 -0.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5384 -1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4254 2.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 4.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9367 -0.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5237 -1.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4321 3.8901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7478 -0.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4956 3.6379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1927 3.7632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4096 -0.9083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9881 -0.5006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0051 0.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1481 1.5597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8937 2.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5211 -1.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8541 -3.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5257 -2.3964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0027 -3.7272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6239 -4.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6132 -6.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5336 -7.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9125 -6.0799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9232 -4.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 M END