MMs01501444 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 1.2933 -0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8913 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8798 -2.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1730 -3.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4778 -2.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4893 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7710 -3.0596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0758 -2.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0873 -0.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3690 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3576 -4.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6508 -5.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9556 -4.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9670 -3.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6738 -2.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2718 -2.3593 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.0118 -3.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5317 -1.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5765 -1.6192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5880 -0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8927 0.6208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.9320 1.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1860 -0.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1745 -1.6391 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.2138 -1.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8698 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4678 -2.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9042 2.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2488 -5.3592 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6079 1.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0346 0.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6079 -1.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5149 -1.6732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0576 -1.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -2.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1639 -4.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5331 -0.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2052 1.1602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -4.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3138 -5.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6416 -6.5393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6830 -1.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4047 -0.3186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1862 1.0115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0914 -3.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6341 -3.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8599 -3.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5024 -3.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0757 -1.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1042 2.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9134 3.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7043 2.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 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 18 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 29 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END