PUBCHEM-ZINC00178718 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.1270 1.7590 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 0.2350 -0.0550 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6080 -0.1670 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -0.2100 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 0.0590 2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -0.5510 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -0.0570 1.3880 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0930 1.0260 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -0.3430 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 0.0190 2.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7090 -0.4630 2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 -2.6460 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 -2.1690 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2470 -2.4470 2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4290 -3.8810 2.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3440 -4.2380 4.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4770 -5.5710 4.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6970 -6.5570 3.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7950 -6.2180 2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6620 -4.8820 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8200 -7.9580 3.9580 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.6970 -8.2180 5.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0330 -8.7970 3.0720 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1460 2.1400 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 2.0540 -1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 2.2620 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -1.2880 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 0.2810 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -0.3610 3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 1.1380 2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -1.6410 2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -0.2920 3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 0.0560 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -1.4250 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 1.1000 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 -0.2320 3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3070 -0.0610 3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1500 -0.1590 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3280 -2.3960 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9620 -3.7260 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -2.4650 2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -2.5920 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5940 -2.2700 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8300 -1.8010 3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1850 -3.4830 4.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4110 -5.8200 5.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9750 -6.9730 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7440 -4.6340 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 -0.6480 1.4090 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7570 -0.3740 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 -1.9790 2.4220 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.4640 -2.2730 3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 49 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 49 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 51 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 51 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 49 1 M CHG 1 51 1 M END