IFLAB-ZINC04355916 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 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8480 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -2.3940 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -3.7630 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -4.5990 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -4.0470 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -2.6770 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -6.0710 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -6.9110 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -8.2770 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 -8.7340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 -7.8650 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -6.5970 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 -10.4640 -0.0270 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 -10.5300 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0080 -11.9680 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 -12.8610 -0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 -12.2630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8990 -13.6160 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4340 -13.4600 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6360 -12.0330 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4230 -11.2810 0.0230 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 -3.6390 -1.7470 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 -4.1880 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -4.6920 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -2.2490 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -6.5040 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -8.9690 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -10.0350 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 -10.0250 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5750 -14.1550 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 -14.1520 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8930 -14.2060 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8350 -13.5290 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5880 -12.0400 -1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5750 -11.6020 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6380 -10.9760 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1700 -10.4140 -0.5870 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 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END