IBS-ZINC05047184 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 -2.8150 -2.7060 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -1.4660 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -0.5900 0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6040 -1.1720 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.6120 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -0.1210 1.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 0.5930 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 0.8500 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9320 1.0540 2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 1.7900 2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 2.0800 3.5080 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9800 2.7330 3.4770 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6180 3.0230 4.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1180 2.7170 5.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9230 3.7110 4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5000 4.0630 3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7190 4.7060 3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3750 5.0040 4.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8160 4.6610 5.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5920 4.0090 5.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0440 3.6660 6.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 0.6960 3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 1.0400 4.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -0.0250 3.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -0.4150 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -1.3330 2.4600 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 -3.3300 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 -3.2720 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -2.4000 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -1.7720 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 -0.9000 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 1.1910 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 0.2630 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 1.2400 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 2.1330 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 1.8360 4.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3780 2.9770 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9920 3.8330 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1650 4.9780 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3300 5.5080 4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3330 4.8970 6.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4740 4.3480 7.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -0.2690 4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 M END