MMs00838678 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.4152 0.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 -0.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2764 -1.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4146 -2.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8298 -2.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1068 -0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 -0.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6602 -1.4394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0754 -0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3524 0.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2135 -1.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6287 -1.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0583 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2778 1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9968 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4964 2.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2769 1.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5579 0.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0551 -1.3646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2048 -1.7082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8628 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8984 -3.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6175 -4.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 1.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1322 -0.3978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3978 -1.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1442 -2.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1929 -4.1104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7403 -3.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1902 1.1967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9337 0.5835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4498 0.2986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4385 -2.6188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2857 -2.6802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8019 -2.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0781 1.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3723 3.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0716 3.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4766 1.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2148 -4.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2432 -5.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 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 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 42 43 1 0 0 0 0 M END