MMs01555627 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.2931 -0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2813 -2.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5744 -3.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8793 -2.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8911 -0.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -3.0408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4773 -2.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -0.8105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1154 -0.5102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8552 -1.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8428 -2.9219 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3457 -1.9836 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2369 -0.7770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8369 0.2622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6376 0.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7274 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3267 -2.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6186 0.2610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1091 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7084 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1989 -1.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0901 -0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4908 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0003 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5806 -0.4131 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6082 1.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0345 0.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6082 -1.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2374 -2.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 -4.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -0.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6074 1.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -4.2407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7377 1.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1581 1.6981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 0.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1392 1.3610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9955 -2.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6784 -2.5512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2038 2.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 M END