IFLAB-ZINC05251520 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 1.1700 1.6310 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 0.2990 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -0.6880 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -0.3260 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 1.0110 -1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 1.9950 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 1.3820 -2.5770 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3290 0.4830 -3.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 2.5740 -2.7140 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8000 -2.0450 0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -2.6300 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -2.1350 2.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -4.1310 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -4.6510 -0.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -4.7780 1.9150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -6.2090 1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -6.6320 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -8.4590 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -9.9380 -0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -10.7560 0.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -10.4840 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -9.0310 1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 2.3870 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 0.0630 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 -1.0860 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 3.0370 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -2.6900 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -4.2060 2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -6.6810 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -6.5080 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -6.4400 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 -6.0930 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -7.8270 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 -8.2290 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 -10.2120 -1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 -10.1610 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 -11.1540 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -10.7240 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -8.8020 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -8.8120 2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -8.1080 0.5410 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9430 -8.2850 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 41 1 M END