IFLAB-ZINC02457346 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 -0.7340 1.5660 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 0.1590 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -0.3350 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -1.6410 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -2.5040 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -1.9900 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.6780 -1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.2120 -2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -3.7920 0.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -4.5860 1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -5.9870 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -6.6290 0.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -5.8330 -0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -4.4380 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -7.8730 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -8.4800 1.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -8.4450 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -9.7930 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 -10.3030 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 -11.6450 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2040 -12.6250 -0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 2.1670 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 1.5710 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 2.0510 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 0.2930 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -1.9640 2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -2.6340 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 0.6940 -2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -0.9670 -3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -0.0090 -2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -4.6680 2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -4.1210 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -6.5940 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -5.9130 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -6.3220 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -5.7460 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -3.8490 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 -4.5360 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 -8.5600 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -7.7300 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 -9.6990 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -10.5170 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 -10.4350 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -9.5890 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 -11.6120 0.9080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 M CHG 1 45 -1 M END