MMs03007817 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 47 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 0.5066 -1.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9826 -1.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 -0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4454 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6317 1.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8714 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4513 -0.4890 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2832 1.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5505 2.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4279 0.4882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8398 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1070 2.4708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9844 0.0253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3963 0.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5409 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9528 0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2200 1.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0754 2.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6635 2.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6319 2.0516 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.1385 0.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1253 3.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0438 2.5582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1884 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0769 0.0929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4651 -0.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4345 0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6455 1.9450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5862 3.2948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1808 0.2138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -2.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3878 -2.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5642 2.2741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2141 -0.6926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7706 -1.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3271 -1.6183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8685 -0.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2891 3.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7478 2.7834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2575 3.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7501 -1.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6312 0.5801 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 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 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 M END