IFLAB-ZINC04317250 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -1.5570 0.5160 5.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -0.7920 5.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 -1.0980 4.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -0.6260 2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -0.9080 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 -1.6620 2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 -2.1350 3.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -1.8570 4.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8700 -2.0200 1.4090 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.9940 -2.2880 2.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8630 -1.0060 0.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5100 -3.4390 0.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4660 -4.2640 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7680 -3.9400 0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6080 -4.9110 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7790 -4.6980 -0.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0360 -6.2570 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6700 -7.4280 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9520 -8.6470 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4650 -9.9000 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4040 -10.8070 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3120 -10.0900 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6440 -8.7920 -0.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3320 -6.0230 0.1310 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.2180 -2.5480 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1680 -2.2850 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3280 -1.7220 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 0.7380 6.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 1.3260 5.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.4150 6.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -0.6900 4.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -1.6020 5.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -0.0370 2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -0.5380 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 -2.7240 4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 -2.2300 5.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7190 -7.4260 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4820 -10.1370 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4510 -11.8770 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3300 -10.4960 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7280 -2.3650 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3580 -1.8840 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8920 -2.5610 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0090 -1.5340 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6040 -1.4460 0.1760 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 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END