MMs01337982 MOE2007 2D CORINA 3.40 0006 02.08.2006 36 38 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 0.7592 -1.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0185 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4815 -2.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2222 -3.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 -5.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0369 -5.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7777 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2776 -3.8810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -5.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2961 -6.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5368 -5.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 -6.4577 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 -6.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6863 -7.6543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1095 -7.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4139 -7.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7076 -7.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6969 -5.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3925 -4.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0989 -5.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -5.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0119 -7.9029 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6074 1.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 -0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0889 -1.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4222 -3.9215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0556 -6.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6443 -6.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8702 -2.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3201 -3.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6615 -4.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4224 -9.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7318 -5.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3840 -3.7215 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 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 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 M END