MMs01539778 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 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 1.4917 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3742 -1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8659 -0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1009 1.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1686 -2.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8494 -0.0296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6916 1.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8056 2.4665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2242 1.7730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1489 -0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4475 -0.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4464 1.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7470 -0.7770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0455 -0.0261 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0848 0.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0445 1.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3451 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3461 -2.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6456 -3.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9442 -2.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9432 -0.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6436 -0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2417 -0.0226 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1262 1.1933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1933 -0.1262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1262 -1.1933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -0.8814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -1.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7057 -2.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 -2.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0304 -1.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6707 2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 2.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9363 1.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 2.7257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7353 2.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3782 -1.6985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9209 -1.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7478 -1.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2445 1.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0437 2.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8445 1.4731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3073 -2.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6465 -4.2243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9838 -2.8727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6428 1.1757 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 7 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 50 1 0 0 0 0 M END