MMs02298729 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 1.0490 1.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 -1.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4041 -1.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 -3.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8863 -4.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0315 -2.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1037 -3.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 -3.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3858 -2.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8845 -2.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5800 -3.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7769 -5.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2782 -5.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -6.0944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8853 -5.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5563 -6.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6876 -1.2216 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9545 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4208 -0.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4908 0.0453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9895 -0.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7926 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2914 1.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -1.4110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1624 0.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7258 2.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3412 1.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4351 -2.3023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8293 -1.3631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7790 -3.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 -6.1475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4299 -7.2775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9343 1.1085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7324 -1.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0992 -0.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6830 1.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0498 2.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9339 2.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3132 -0.8546 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 28 1 0 0 0 0 2 3 2 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 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 18 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 32 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M END