MMs01281471 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 67 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 1.5000 0.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2576 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7576 -1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7423 1.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2423 1.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4846 2.6069 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7576 -1.2591 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0521 -0.5015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 -2.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5152 -2.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7729 -3.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5306 -5.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0305 -5.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7729 -3.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0152 -2.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2728 -3.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0305 -5.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 -2.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5151 -2.5183 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.7151 -2.5183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2728 -3.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2574 -1.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4998 0.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7574 -1.2060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4997 0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7421 1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4844 2.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9843 2.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7420 1.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9997 0.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7266 4.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2266 4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9689 5.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4689 5.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2266 4.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4843 2.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9843 2.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7882 -6.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0071 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0071 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6638 -2.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3637 -2.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3361 2.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5937 1.0782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5729 -3.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9367 -6.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6090 -1.5021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2371 -4.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8789 -4.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3084 -3.2067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3635 -2.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5421 1.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8782 3.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9420 1.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6058 -0.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3628 6.3558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0628 6.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4266 4.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0904 1.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3904 1.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 46 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 48 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 51 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 40 2 0 0 0 0 36 37 2 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 39 2 0 0 0 0 38 62 1 0 0 0 0 39 40 1 0 0 0 0 39 63 1 0 0 0 0 40 64 1 0 0 0 0 M END