MMs00235872 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 65 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 -1.5000 -0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2576 1.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5152 2.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7424 1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2423 1.3122 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2336 2.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2511 -0.1878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7423 1.3210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7423 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 2.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4847 2.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7576 1.2770 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7663 2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7488 -0.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2575 1.2682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0151 2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5151 2.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2575 1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 -0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9999 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7574 1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6462 2.4502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2821 3.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0701 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3735 2.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6681 1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6593 0.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3559 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0613 0.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6320 0.0232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.9539 -0.2945 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6061 -1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0939 -1.0515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1213 3.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5787 3.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3747 -0.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7152 -1.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7985 -1.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1299 -0.3686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6660 0.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6570 2.1153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1099 3.0502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7694 3.8137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3547 3.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6861 3.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8899 2.9799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2304 3.7434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3137 3.7370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6451 2.9579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8575 2.2899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6251 -0.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2846 -1.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8699 -0.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2013 -1.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3805 3.9207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7108 2.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3489 -1.4792 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 16 1 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 34 2 0 0 0 0 26 27 1 0 0 0 0 26 28 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 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 31 32 2 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 M END