MMs03649957 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2428 1.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4857 2.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0143 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7571 1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2571 1.2867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7428 1.3196 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7346 2.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -0.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2428 1.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9857 2.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4856 2.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2427 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9999 0.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7427 1.3525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.4998 0.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9925 -0.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1017 0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5308 0.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8507 -1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7415 -2.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3124 -1.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0175 -2.3136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8973 -1.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4318 -1.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.6400 1.4729 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5943 -1.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 -1.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 3.6488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6199 3.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8514 0.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8628 2.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 3.6669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0799 3.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1056 -0.9948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4056 -1.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3370 2.3950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8457 2.0912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9940 -1.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9974 -3.1846 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 8 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 M END