IFLAB-ZINC03913873 MOE2007 3D CORINA 3.40 0006 02.08.2006 98102 0 0 1 0 0 0 0 0999 V2000 0.4070 3.3490 2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 1.9470 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 1.9550 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 0.9570 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 0.8560 3.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -0.1340 4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -0.2350 5.8960 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2620 0.7600 6.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -0.8390 5.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -1.1250 6.9300 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6270 -2.1530 6.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -0.5760 7.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -0.5230 8.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -1.4840 9.2380 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2510 -2.5100 8.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -1.0490 8.2720 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3690 -1.9790 8.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -2.2570 9.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 -1.3660 10.8290 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3170 -0.3250 10.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -1.4730 10.6740 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8420 -2.4180 11.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -0.3180 11.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.4350 12.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -1.0520 13.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -1.6970 12.2730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4020 -3.1970 12.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -3.5220 13.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 -2.6460 14.9900 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5770 -2.9670 15.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -1.1760 14.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -2.7910 15.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -2.6330 16.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 -2.3780 17.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 -2.7630 16.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -2.6040 17.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2340 -2.7390 18.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7090 -2.5750 19.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0490 -2.7020 19.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9370 -2.9940 18.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4700 -3.1580 17.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1320 -3.0270 17.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2960 -3.1220 19.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7750 -3.0760 20.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2470 -3.3030 17.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 -1.1290 12.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 0.4090 8.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 3.6480 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 4.0540 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 3.3430 2.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 1.6480 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 2.2540 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 0.9560 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 2.6600 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -0.0230 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 1.3040 2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 1.8370 4.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 0.5100 3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -1.1140 4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.2130 4.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -0.2800 4.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -1.8800 5.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -0.7860 6.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 -1.2440 6.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 0.4230 6.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -0.9120 9.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 0.4800 9.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -1.5410 7.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -2.9290 7.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -2.1220 9.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 -3.3090 10.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -0.3950 11.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 0.6340 11.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 0.0210 13.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -3.5360 12.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -3.7240 11.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -4.5700 14.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -3.3860 13.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -0.8810 15.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -0.5380 14.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0340 -2.9900 15.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1100 -2.3780 18.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0210 -2.3490 20.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4160 -2.5750 20.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1620 -3.3840 16.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7710 -3.1510 16.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0040 -2.0460 20.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6740 -3.6860 20.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0030 -3.4640 21.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7030 -3.4000 17.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8360 -4.2030 18.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9100 -2.4390 17.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -1.5850 11.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 -1.3480 13.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 -0.0490 12.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 0.6690 7.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 0.5450 9.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 1.0540 8.3370 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 51 1 0 0 0 0 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