IBS-ZINC05164783 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 39 0 0 0 0 0 0 0 0999 V2000 -0.0260 1.4220 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 0.3240 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -0.2530 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 0.3240 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.4140 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 1.9810 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 1.6720 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 0.7230 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 -0.0890 0.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9010 0.6940 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4010 1.6880 -1.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5700 2.5660 -1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 2.6350 -1.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7630 -0.2070 0.3170 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1780 0.1470 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0890 -1.0300 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7060 -2.2760 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2450 -2.6160 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3030 -1.4510 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6850 -3.4220 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9090 -3.1210 0.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 1.8510 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -0.0900 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -1.1040 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 2.8350 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 3.3100 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4730 0.9850 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3580 0.4730 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0310 -1.2490 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1260 -0.7370 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8130 -2.0630 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 -2.8970 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9320 -3.4880 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 -1.3050 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 -1.7590 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1670 -4.5360 0.3080 O 0 5 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 27 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 18 1 0 0 0 0 17 20 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 M CHG 1 36 -1 M END