MMs01695393 MOE2007 2D CORINA 3.40 0006 02.08.2006 28 30 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 -1.5000 0.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2507 -1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5014 -2.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7493 -1.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -3.8959 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0929 -4.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2528 -5.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5515 -4.6453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0515 -4.6445 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0507 -3.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0522 -6.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5515 -4.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4325 -3.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8593 -3.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8601 -5.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4338 -5.8568 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.0741 -6.2735 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6005 1.0389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0995 1.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4507 -1.2972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5981 -3.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9493 -1.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0711 -5.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6638 -6.5234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0611 -2.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8298 -3.1867 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 M END