IFLAB-ZINC04166582 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7000 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0810 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0680 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.1720 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -4.9950 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -6.3080 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -7.3700 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -7.0780 -2.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -5.8270 -2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -4.8030 -1.9870 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -9.0450 -0.8560 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -9.8970 -2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -11.3870 -1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -11.8290 -1.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -12.2280 -2.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -13.6820 -2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 -14.3080 -2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -13.8780 -3.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -12.3550 -3.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -11.7070 -3.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -6.2360 0.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -5.0060 0.8860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.1640 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6250 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.6020 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1410 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -5.6360 -3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -9.6280 -2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -9.6010 -3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -14.0880 -3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -13.9040 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 -15.3950 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -13.9720 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -14.1930 -4.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 -14.3420 -3.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 -12.0520 -4.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5270 -12.0370 -3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -10.6260 -3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -11.9480 -4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 26 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 25 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 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 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 M END