MMs01683565 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 -1.3017 -0.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3071 -2.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2909 -2.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2963 -0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5872 -3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 -2.2640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1853 -3.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1799 -4.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 -2.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7834 -3.0281 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0851 -2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2473 -0.7916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7156 -0.4850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4609 -1.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4532 -2.8978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7598 -4.3662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9521 -1.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6974 -3.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1658 -2.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3279 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9598 -0.8378 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0162 -4.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3388 -0.1416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3485 -2.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 -0.1584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8126 -3.9258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3553 -3.9314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8933 -1.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 -1.3514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2617 -1.3570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8651 -5.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8997 -4.7411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2054 -4.3451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0546 -3.7503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3693 -0.8566 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 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 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 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 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 34 1 0 0 0 0 18 35 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 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 M END