MMs01269288 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 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 -0.7547 1.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2547 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2453 -1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7453 -1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0094 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -3.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5093 -2.5927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -3.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -3.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5093 -2.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5187 -5.1799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0187 -5.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7733 -6.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2733 -6.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0187 -5.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5186 -5.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2733 -6.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5280 -7.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0280 -7.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2827 -9.0635 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.7733 -6.4492 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0162 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4946 -1.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5054 1.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 -0.0216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0093 2.5873 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1584 2.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8416 -2.3485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1379 -4.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4766 -5.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9224 -6.2213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 -3.9935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 -4.7600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6472 -6.8853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 -7.6519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4149 -4.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1149 -4.1169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1317 -8.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6037 1.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5962 -1.0630 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 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 24 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 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 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END