MMs03445879 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 43 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 1.3030 -0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0137 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5980 -1.1863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5901 1.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 -0.7295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0274 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.4912 0.7842 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 1.3224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1824 2.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4256 3.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -1.2677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4529 -1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1960 0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6960 0.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4528 -1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7097 -2.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2097 -2.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4666 -3.8579 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9666 -3.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2234 -5.1529 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.4392 1.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9391 1.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5945 1.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0424 0.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 -1.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 -1.6665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 -1.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 1.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5838 2.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3902 1.5073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9073 -1.9295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1057 1.8589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0976 3.4016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4616 4.5259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8201 4.9565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3895 3.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5906 1.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6528 -1.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3152 -3.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9455 0.1619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1391 1.3682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9328 2.5619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END