IBS-ZINC05111909 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.7420 0.3040 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -0.9540 0.0520 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0850 -1.5690 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -1.7920 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -1.1780 2.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -0.8220 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 0.0190 1.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5100 0.9960 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -0.6420 -0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 0.2540 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -0.9920 3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -1.3530 3.6300 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 -1.1920 4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -0.6600 5.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -0.2590 5.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -0.4530 4.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.3390 6.8850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -0.0110 7.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -0.3050 8.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 1.1270 9.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 1.4020 7.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 0.6090 10.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -0.6820 7.1130 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7240 -0.1000 7.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -1.2780 8.0800 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7600 -1.6150 4.6620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 0.0410 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 0.9050 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 0.9420 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -2.7860 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -1.9430 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -1.7530 2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -0.2660 3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 0.7740 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6770 0.8540 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -0.6930 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 0.8220 6.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -0.8990 6.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 -0.4270 8.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -1.2020 8.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 0.2510 9.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 1.9990 9.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 1.5620 7.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 2.3450 7.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -0.2820 11.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 0.4740 10.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 1.4910 11.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -2.0630 3.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 -1.4620 5.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 0.8490 9.4070 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9210 1.6900 9.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 50 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 50 1 M END