IFLAB-ZINC04077742 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 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 7.4420 0.4940 -0.4000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 -0.5360 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8710 -1.8370 -0.5460 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9850 -2.4170 -0.6560 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0470 -1.6760 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5340 0.0120 -0.7070 S 0 0 0 0 0 0 0 0 0 0 0 0 12.3560 -2.1310 -0.8830 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6100 -3.4540 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6940 -4.2500 -0.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9980 -3.9370 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2640 -5.3080 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5620 -5.7540 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6040 -4.8440 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3460 -3.4810 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0510 -3.0250 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8740 -5.2850 -1.4240 F 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 13.0860 -1.4960 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4530 -6.0180 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7680 -6.8140 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1610 -2.7770 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8510 -1.9640 -1.1320 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 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 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 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 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END