IFLAB-ZINC04190146 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1300 -0.6410 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -2.3840 -0.0180 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -2.2630 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -0.7480 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 -0.0320 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 -0.8050 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 -0.2030 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9290 -0.9850 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2200 -0.5540 -0.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2230 -1.5040 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6110 -1.2900 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4870 -2.3500 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0220 -3.6540 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 -3.8890 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 -2.8260 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 -2.7550 -0.0600 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5370 0.8770 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6610 1.3680 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9920 2.8620 1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1390 3.4450 3.0940 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8730 3.4200 3.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2880 2.8850 3.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -2.7180 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -2.7280 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -0.4890 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -0.4790 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 1.0440 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 -1.8820 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8760 0.8730 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9940 -0.2800 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 -2.1620 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7180 -4.4800 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2880 -4.9030 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 1.0410 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7420 1.4260 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 1.2040 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4560 0.8190 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9340 3.0270 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1970 3.4120 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4660 4.9260 2.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 5.3800 3.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 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 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 45 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 2 1 M END