IFLAB-ZINC01321145 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 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 3 0 0 0 0 0 0 0 0 0 0.2850 -0.0870 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -2.0370 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.1080 1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 0.1040 2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -0.0430 3.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 0.5250 2.3440 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8170 -0.2390 1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3630 1.8520 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 0.6900 3.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -0.0550 4.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2510 -0.8710 3.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1100 0.1490 5.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1260 -0.4800 6.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2640 -0.0740 7.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0860 1.1720 7.9720 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4170 1.1020 6.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 1.7940 5.7800 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0470 1.6230 4.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2680 -0.6000 8.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3270 -0.1040 9.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2660 -0.5990 10.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1490 -1.5840 10.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0960 -2.0790 9.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1570 -1.5970 8.1400 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 1.1120 -2.4610 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -2.3980 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -2.3400 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 2.1560 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 1.7290 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 2.6150 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7560 -1.2440 5.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6390 0.6650 10.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3130 -0.2170 11.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8830 -1.9680 11.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7880 -2.8480 8.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1130 -1.9880 7.1340 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 5 1 0 0 0 0 3 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 21 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 19 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END