IFLAB-ZINC04940890 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 0 0 0 0 0 0999 V2000 0.3670 0.9250 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -0.3130 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -1.5740 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -0.2900 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -0.3150 -1.2900 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 0.2060 -1.5380 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -0.0190 -2.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 1.5200 -0.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -0.9110 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 -0.6650 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 -1.5680 -0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6610 -1.5300 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 -0.7470 -0.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4910 -2.4400 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8820 -2.4040 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6510 -3.2560 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0460 -4.1450 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6680 -4.1870 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8870 -3.3360 1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 0.9080 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 1.8220 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 0.9260 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -1.5390 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -2.4530 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -1.6260 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 0.6080 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -1.1720 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -0.2890 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -0.6210 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 -0.7240 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 -1.9440 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -0.8520 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 0.3680 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -2.1920 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3560 -1.7100 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7280 -3.2280 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6530 -4.8110 2.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 -4.8840 3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 -3.3660 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 M END