IFLAB-ZINC04517883 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -0.4970 1.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.5200 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -0.4240 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -0.5780 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -0.9080 -2.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -1.0850 -3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -0.9320 -3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -0.6050 -2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -1.1210 -5.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.9870 -5.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -1.4410 -6.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -1.6180 -7.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -1.9420 -8.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -2.0670 -9.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -1.8380 -9.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 -1.4670 -7.5490 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -1.9810 -10.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -2.7630 -11.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -2.3930 -11.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -2.1400 -8.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 -2.2960 -8.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -0.4390 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9670 -1.0260 -2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -1.3420 -4.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -0.4880 -2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -1.5480 -6.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 -2.5410 -10.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 -0.9990 -10.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -3.8360 -11.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -2.4210 -12.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -1.5220 -11.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -3.2370 -11.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 3 0 0 0 0 M END