MMs02618588 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 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2498 1.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4995 2.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7502 1.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2502 1.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1322 2.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5587 2.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5584 0.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1317 0.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7717 -0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1422 0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4411 -0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 -1.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5560 0.5293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9461 1.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4543 1.7433 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6964 3.1987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1964 3.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9466 4.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1969 5.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6969 5.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9466 4.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7498 1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0009 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5998 -1.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1002 -1.0388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0993 3.6377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6007 3.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7616 3.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5296 2.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6461 -1.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9878 2.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3239 2.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8657 3.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8660 5.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9055 6.9785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5693 6.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0272 3.7267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0275 5.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4995 2.5989 0.0000 O 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 2 0 0 0 0 M CHG 1 26 -1 M END