NCID-ZINC05431583 MOE2007 3D CORINA 3.40 0006 02.08.2006 88 90 0 0 1 0 0 0 0 0999 V2000 -0.2820 2.1020 -2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 0.5920 -2.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3070 0.1000 -2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 0.3010 -0.7150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3900 -0.7770 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 0.9460 0.3780 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5110 2.0290 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 0.4150 0.2680 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5720 0.9100 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 0.7020 -1.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5110 1.7790 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 0.1000 -2.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 0.1460 -1.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 0.8040 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0740 0.2850 -2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9930 0.9980 -2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1610 0.2790 -2.9210 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9410 -0.8170 -2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7160 -0.8120 -1.7010 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9910 0.5090 -3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6040 2.1270 -3.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3770 2.5750 -3.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 1.9440 -2.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -0.9950 0.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 0.6190 1.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 0.8560 -0.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 0.1430 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -0.9580 -1.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 0.7140 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 -0.2470 -1.6780 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3900 0.0510 -1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7910 1.1140 -1.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3590 -0.9370 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7740 -0.3580 -2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7580 -1.3610 -2.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1730 -0.7810 -2.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1570 -1.7850 -3.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5720 -1.2050 -3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5560 -2.2080 -4.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9710 -1.6290 -3.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9550 -2.6320 -4.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3480 -2.0610 -4.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3220 -2.7560 -3.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0900 -4.1880 -3.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1470 -5.0820 -4.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5290 -4.7230 -3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8380 -6.5470 -3.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 2.4780 -2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 2.3100 -3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 2.5950 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 -0.6840 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6760 -1.5770 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 3.4960 -3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -1.3990 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 0.9960 2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 1.7360 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 1.6430 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4100 0.9130 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 -1.0970 -2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3260 -1.8660 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0840 -1.1360 -3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 0.5720 -2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0490 -0.1590 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -2.2900 -2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4830 -1.5600 -3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2050 0.1480 -3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4480 -0.5830 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 -2.7140 -2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8820 -1.9830 -4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6040 -0.2760 -3.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8470 -1.0060 -2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5230 -3.1370 -3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2810 -2.4070 -5.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0030 -0.7000 -4.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2460 -1.4300 -2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9220 -3.5610 -3.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6800 -2.8310 -5.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5440 -1.0790 -4.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2920 -2.3030 -3.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1620 -4.2720 -2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0980 -4.5020 -3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1340 -4.9310 -5.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5410 -4.8740 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2810 -5.3600 -4.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7480 -3.6790 -3.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8540 -6.8030 -4.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5910 -7.1850 -4.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8500 -6.6980 -2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 52 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 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