IFLAB-ZINC04314846 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 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 -1.4970 -1.8390 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -2.5670 -0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -2.4160 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 -3.7500 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -4.0020 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2370 -2.9820 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 -1.5180 0.0430 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.6180 -3.0720 0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3660 -1.9500 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8280 -0.8630 0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8690 -2.0480 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5820 -0.3840 0.0950 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.2970 -0.7850 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2660 0.2400 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5770 -0.0960 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9270 -1.4140 0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.8640 -1.6640 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9800 -2.3700 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3110 -3.5430 0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6860 -2.0550 0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8470 1.6880 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -4.8310 -0.0050 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 -7.0480 -3.9410 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2080 -2.5790 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1900 -2.5890 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3370 0.6700 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7560 2.0430 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5960 2.2810 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8870 1.7870 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -5.0980 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -5.7090 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -4.4690 -0.5260 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 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 23 2 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END