IFLAB-ZINC04275325 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.3080 -2.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -1.8120 -1.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -2.2580 -2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4940 -3.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -2.0710 -4.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -1.4530 -5.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 -2.1980 -6.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -3.5980 -6.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -4.2300 -5.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -3.4710 -4.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 -3.9480 -3.0100 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 -4.3980 -7.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -5.6120 -7.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 -3.7840 -8.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 -4.6360 -9.7270 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -2.4510 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 -0.3750 -5.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 -1.7070 -7.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -5.3080 -5.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3230 -5.2570 -9.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7730 -5.2720 -10.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9830 -4.0160 -10.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 7 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 16 1 0 0 0 0 9 10 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 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 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 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M END