IFLAB-ZINC02917616 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2060 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0150 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4090 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 2.0890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 2.1660 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 3.4860 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 4.0670 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9920 2.7760 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 1.5500 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 5.7960 -0.0160 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0030 5.7590 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5350 7.1690 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7660 8.1070 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 7.3880 -0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4070 8.7560 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4540 8.8590 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4030 7.8000 0.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8440 6.4900 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8170 6.2660 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 -0.8400 -0.0390 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -1.7640 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.1680 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 5.2330 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3480 5.2420 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8730 8.9670 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6040 9.4690 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9660 9.8180 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9630 8.7760 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6370 5.7460 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3550 6.3990 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2850 5.3310 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3250 6.2230 -1.0120 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 22 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 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 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 35 1 0 0 0 0 21 36 1 0 0 0 0 M END