IFLAB-ZINC01516479 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 -4.2410 0.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 -4.6600 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 -3.8070 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6620 -4.4910 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 -5.8160 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -5.9260 0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 -7.1180 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 -8.1250 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8170 -9.2980 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 -9.4700 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -8.4690 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -7.2960 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0200 -3.8940 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1750 -2.5090 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4410 -1.9600 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5540 -2.7800 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4060 -4.1560 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1460 -4.7170 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9340 -2.1740 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 -2.1110 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -2.1010 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0850 -6.6300 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -7.9920 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 -10.0820 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -10.3880 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -8.6060 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -6.5160 -1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3070 -1.8670 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5630 -0.8860 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2790 -4.7920 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0310 -5.7900 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2770 -2.0230 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6190 -2.8450 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9030 -1.2160 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M END