MMs01188518 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.0161 -1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 -0.7752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 -1.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0482 -3.3104 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9594 -1.5505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9755 -2.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4391 -2.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0339 -0.9487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5274 -1.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6308 -0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0625 -0.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3907 -1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2872 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8556 -2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5650 -3.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4248 -4.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6481 -5.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2735 -7.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1416 -5.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1660 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5976 0.0481 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8828 0.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 0.8828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8828 -0.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0056 -1.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -2.2110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8378 0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3175 -0.4052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9650 -3.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4374 -3.7615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3683 1.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5360 -2.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5498 -4.1710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2677 -4.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9108 -5.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7996 -6.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2862 -7.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1166 -7.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4594 -4.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2259 -6.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8377 1.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 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 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 2 0 0 0 0 M CHG 1 22 -1 M END