IFLAB-ZINC05144787 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 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 -0.7790 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1390 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.4700 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -1.0100 -1.4410 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -4.1160 -1.0870 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -4.0380 -2.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -4.9280 -0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -4.5960 -1.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -3.9530 -2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -3.6800 -3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 -3.0450 -4.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0160 -2.6780 -3.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 -2.9480 -2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -3.5930 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8580 -2.5540 -2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 -2.0060 -3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9990 -1.6540 -2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3370 -1.8680 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4480 -2.3940 -0.6850 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2690 -2.7260 -1.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6040 -1.5300 -1.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7450 -1.8400 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1440 -0.5300 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7600 0.3170 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8740 -0.0900 -1.2550 C 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 0.0280 -0.3750 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.8780 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -5.3230 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -3.9640 -3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -2.8340 -5.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 -2.1810 -4.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -3.8090 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 -1.8610 -4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7100 -1.2260 -3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5220 -2.5910 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7970 -2.2030 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8840 -0.7240 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2670 -0.0350 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8010 0.0430 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6680 1.3820 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9420 0.4750 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4080 0.0690 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END