IFLAB-ZINC04139678 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.1640 1.4070 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -0.0970 0.1880 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7070 -0.2810 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -0.6320 0.2680 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7770 -0.3550 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -2.1330 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -2.9930 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -4.3290 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -4.5530 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -3.0190 1.8970 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 0.1510 2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 0.6960 3.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 1.9020 3.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 1.7370 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 1.2030 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -0.7790 -0.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -0.8740 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -0.3940 0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -1.5010 -1.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 -1.7170 -1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -1.9540 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 -2.1670 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0210 -2.1440 -1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4480 -1.9080 -2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 -1.7000 -2.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7320 -2.4110 -1.4270 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 1.7540 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.6060 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 1.9320 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -2.6720 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -5.1280 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -5.5280 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 0.8660 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -0.7970 2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -0.0420 4.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 0.9040 4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 1.0300 2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 2.6990 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.0220 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 1.9350 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -1.1620 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -1.8030 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 -1.9710 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -2.3510 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0650 -1.8910 -3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 -1.5200 -3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -0.0550 1.4400 N 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 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 47 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 M END