MMs00622834 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 40 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 1.2954 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2881 2.2563 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2881 3.4563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8862 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5763 4.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 5.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 4.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4697 5.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 6.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1598 7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8644 6.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7579 7.5376 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0145 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3099 2.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3027 0.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6126 2.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7766 4.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2453 4.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9890 3.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9799 2.3707 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 -0.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 -0.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0031 -1.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6402 -0.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 1.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5342 5.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1801 3.3251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5118 4.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8223 7.3637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0203 4.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8887 5.2857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7387 5.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1818 3.3493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 M END