MMs00482994 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 43 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 0.7551 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2551 -1.2901 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6551 -0.2509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0103 -2.5862 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6103 -1.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 -3.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0205 -5.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5102 -2.5803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2654 -3.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5205 -5.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7654 -3.8704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9654 -3.8704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5102 -2.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0102 -2.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7551 -1.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2551 -1.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0368 0.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6041 1.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -0.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3709 -1.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9682 -2.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0416 -0.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 1.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9584 0.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1061 -1.5387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3810 -2.1624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7139 -1.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8065 -3.7450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1395 -2.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6258 -0.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9588 -0.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0514 -2.4371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3843 -1.6605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7654 -3.8941 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.9999 0.0475 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.0415 -0.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5958 1.0891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9583 0.6434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5205 -5.1664 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4837 -5.7705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1246 -6.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5573 -4.5623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 M CHG 1 36 -1 M CHG 1 37 1 M CHG 1 41 1 M END