IFLAB-ZINC04062431 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.1680 1.4520 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -0.0210 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -0.8810 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -2.2000 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -3.4830 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -4.6000 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -4.4660 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -3.2160 -1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -2.0950 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -0.7640 -1.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -0.2200 -2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -0.4510 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 0.7060 2.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -1.4290 3.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 -1.8120 4.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -1.7970 4.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -2.6940 5.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -2.0450 6.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -0.6530 4.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -1.3330 3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 -0.9820 7.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 1.9850 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 1.8540 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 1.6830 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -3.6320 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -5.5790 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -5.3410 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 -3.1310 -2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 0.6040 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 -0.9770 -3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 0.1300 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -3.6130 4.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -2.9670 5.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -2.7600 7.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -1.1560 6.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 0.2590 5.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 -0.4220 4.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 -0.6510 2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 -2.2170 3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 -0.0850 7.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 -1.7240 7.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 -0.7370 6.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 -1.5910 5.9710 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1390 -2.4300 5.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 20 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 43 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END