IFLAB-ZINC04078119 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 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 -2.1250 -0.1370 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 0.5060 -2.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -0.4970 -1.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 -0.1310 -2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 0.5530 -3.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2460 0.7980 -4.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 0.3470 -4.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7070 -0.5200 -3.1080 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.6620 0.5590 -5.9030 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7610 1.5190 -7.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6640 1.7860 -8.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8040 1.3700 -8.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2060 2.4880 -9.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0390 2.7340 -10.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7000 3.3950 -11.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6190 3.5350 -12.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7910 2.9640 -12.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6590 2.2020 -10.6000 S 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 0.2320 -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 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.1110 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 -1.0110 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4390 2.4660 -6.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 0.9560 -7.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 2.8200 -9.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4370 4.0680 -13.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6670 2.9660 -12.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 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 32 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 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 M END