IFLAB-ZINC04248453 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -0.6930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -2.0420 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -2.7560 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -4.0990 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -4.2440 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -3.0320 0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -2.1120 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -0.7030 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -5.5550 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 -5.5980 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -6.8730 1.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8510 -7.1350 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 -6.3160 3.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5940 -8.4460 2.1430 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1610 -8.5450 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 -9.6020 2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 -10.8870 2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5490 -10.9540 2.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4120 -9.7560 3.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5500 -8.4980 3.3420 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9760 -8.5400 4.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4300 -7.2750 3.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3090 -6.4440 2.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -0.1400 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -2.5620 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -4.8950 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -0.1840 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -5.6510 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -6.3760 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -5.5020 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -4.7770 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 -7.5280 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 -9.6910 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 -9.4020 3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 -11.8130 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 -11.9320 3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1190 -9.6280 2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9620 -9.9100 4.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3490 -7.1080 4.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8900 -6.3080 4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 44 45 1 0 0 0 0 M END