MMs00530971 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 40 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 -1.5000 -0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 2.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0178 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7411 1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 1.3144 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2766 3.8816 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7588 1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5177 2.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9999 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7587 1.2528 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7409 -1.3452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2409 -1.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1143 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5440 -2.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5543 -0.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1309 -0.1480 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.8584 0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1523 -0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1420 -2.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8379 -2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6410 -3.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1677 -5.4218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 -1.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0928 -1.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5751 3.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8928 -1.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1339 -2.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0934 1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6360 1.0337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5704 0.4857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3326 -0.8555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3252 -1.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5447 -3.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0602 -3.7941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6029 -3.8046 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 3 0 0 0 0 M END