IFLAB-ZINC04163125 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3830 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 1.1970 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0090 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4130 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 1.8380 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 0.6760 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 -0.3900 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -1.3140 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 3.2100 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 4.1430 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 3.4630 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5430 2.5310 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 4.7280 -0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 4.9780 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9320 6.4860 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4010 6.9630 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 6.7730 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6560 8.0030 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2430 8.3130 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5270 7.0610 1.2240 O 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 1.1480 3.1730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 0.6320 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 5.4740 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1280 4.5290 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 4.5370 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0220 5.9230 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 7.0080 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3340 7.7610 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0370 8.8460 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2980 8.6420 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7590 9.0720 0.7040 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 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 26 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END