IBS-ZINC05184841 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0070 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.4100 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.0910 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 1.8310 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 0.6470 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 -0.4010 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 0.7560 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 1.9670 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7350 3.0560 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 3.0030 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7290 -0.3800 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1880 -0.2500 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8240 -1.6420 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3250 -1.5090 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0250 -1.4530 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4020 -1.3310 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0780 -1.2660 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3780 -1.3230 -1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0020 -1.4490 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8330 -1.1090 -0.1470 S 0 0 0 0 0 0 0 0 0 0 0 0 15.1720 -0.5270 -1.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1970 -0.5360 1.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4620 -2.6410 -0.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.7700 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1710 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 4.0210 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 -1.2590 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4960 0.2970 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5140 0.2900 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -2.1900 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4980 -2.1820 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4960 -1.5050 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9490 -1.2870 2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9070 -1.2710 -2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4550 -1.4970 -2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8690 -3.4090 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4230 -2.7710 -0.1680 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END