IFLAB-ZINC04275342 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 0.7620 -2.0180 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -2.6260 0.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -2.6890 2.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -4.0730 2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -4.8120 1.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -6.1410 1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -7.1480 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -8.4600 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -8.8460 2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -7.8720 2.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -6.5280 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -5.0740 3.4610 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -10.2750 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 -10.6060 3.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -11.2140 1.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -12.6010 1.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -13.5150 0.7760 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 -1.0200 -0.3810 0.0100 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 1.7650 -0.1340 1.2340 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 1.7850 -2.2020 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -6.8680 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -9.2150 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -8.1620 3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -12.7840 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -12.8090 2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -14.5560 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -13.3320 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -13.3070 -0.1900 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 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 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 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M END