MMs02075977 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.4409 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 0.6228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9633 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 -1.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0447 1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4856 0.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9954 -0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4946 -0.5329 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9114 0.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6697 1.7496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3221 1.4178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4689 0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2051 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8796 0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0265 -0.0059 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.4372 0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5841 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9948 0.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2586 1.5235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3872 1.9314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1117 2.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3756 3.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7010 1.9805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9156 -1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0740 -2.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6330 -1.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3334 1.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1528 0.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3334 -1.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9124 -1.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4102 -1.1243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0754 1.9531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5732 2.3229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3221 -1.5752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5331 2.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2820 2.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8006 1.7301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7807 -0.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8331 -1.9106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1322 -2.9446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6219 -3.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4361 -1.8757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4219 -3.1434 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 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 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 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 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 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 17 18 1 0 0 0 0 17 24 2 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END