MMs00898490 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 66 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 -0.0109 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2826 2.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5871 1.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3045 -0.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8806 2.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4786 2.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7831 1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 0.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 -0.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0985 -0.6836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3920 0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3811 1.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6965 -0.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7075 -2.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0119 -2.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3055 -2.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2945 -0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9900 0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5880 0.1138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8925 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2583 -0.0066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2702 -1.1140 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.8702 -0.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7396 -1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9073 -2.9058 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.6611 -4.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4057 -2.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5415 -3.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5297 -2.4185 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.9297 -3.4577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0602 -2.1173 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.6099 -2.8862 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0348 -0.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0545 2.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2738 3.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6416 -0.5734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3132 -1.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1026 3.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6452 3.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2432 3.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7006 3.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1853 2.6874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 1.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -1.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 -1.6162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7359 -1.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7938 -1.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0128 0.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1073 -1.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6726 -2.7722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0207 -4.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9813 1.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5793 1.3137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8563 -0.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9396 -1.4064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1490 -4.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5758 -4.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1851 1.5379 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1851 2.7379 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 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 7 61 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 8 61 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 12 61 1 0 0 0 0 13 14 1 0 0 0 0 13 52 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 2 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END