IFLAB-ZINC01312442 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.3770 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 1.8630 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.1940 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0300 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -0.4560 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 0.2190 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 -0.6510 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7760 0.0370 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 1.2500 -0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 -0.7010 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 0.2640 -0.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 0.7020 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 0.3260 1.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8420 1.6340 0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6230 2.2320 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6310 3.1450 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4780 3.8070 1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3620 4.6340 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2470 4.6520 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0040 3.6060 -0.5940 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9080 1.8460 -1.2520 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 0.7120 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9450 0.2790 -3.1020 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 2.7680 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 1.5740 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -1.3600 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -0.1590 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -1.6180 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 -1.3300 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 -1.3240 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4730 2.0090 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4520 3.6920 2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0950 5.2280 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8620 5.2460 -0.7320 H 0 0 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 M END