NCID-ZINC05846819 MOE2007 3D CORINA 3.40 0006 02.08.2006 95 95 0 0 1 0 0 0 0 0999 V2000 -0.0580 5.3820 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 4.9370 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 5.7920 1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 5.1080 1.0400 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3010 6.1470 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 4.2180 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 3.0480 0.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 4.7240 -1.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 6.1590 -1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 3.8380 -2.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6890 2.8140 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0990 4.2800 -2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9790 4.0960 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 5.1240 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9290 4.9550 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5930 3.7580 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4520 2.7310 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6480 2.9020 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 3.9050 -3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 4.6230 -3.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 3.1680 -4.4990 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 2.3720 -4.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 3.1630 -5.6730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5540 3.9820 -5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 1.8330 -5.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 1.6890 -4.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 0.6800 -5.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 3.3370 -6.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3010 3.1860 -6.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 3.6610 -8.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 3.8440 -8.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 3.8300 -9.2970 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3580 3.6550 -9.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 5.2530 -9.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 5.4290 -11.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 6.2550 -8.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 2.8430 -10.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 2.0770 -10.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 4.7390 2.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 5.6470 3.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 6.7720 3.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 5.3080 4.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 6.3370 5.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 7.5240 5.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 5.7700 6.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 6.8020 5.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 5.3470 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 4.7150 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 6.4000 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 3.8890 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 6.8400 1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 5.4750 2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 5.6700 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 6.3710 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 6.4600 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 6.7140 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 5.3310 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4830 3.6780 -3.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 6.0580 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0400 5.7570 1.4360 H 0 0 0 0 0 0 0 0 0 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6.1290 -7.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 7.2690 -9.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 6.0800 -8.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 3.8410 2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 7.1930 5.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 8.2960 6.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 7.9280 4.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 4.9240 7.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 6.5420 7.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 5.4390 6.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 7.2060 4.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 7.5740 6.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 5.9560 6.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 2.8150 -11.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 2.1640 -12.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 50 1 0 0 0 0 3 51 1 0 0 0 0 3 52 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 39 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 54 1 0 0 0 0 9 55 1 0 0 0 0 9 56 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