PUBCHEM-ZINC06169415 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 -0.3980 1.2530 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 1.0900 2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 2.3480 2.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 3.2760 2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 3.0740 1.5470 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2630 3.5950 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 3.5390 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 2.9420 2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6260 3.4300 2.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 4.5130 1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9130 5.0870 0.5790 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6430 4.6310 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 6.2850 -0.2710 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5370 6.2320 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9560 7.5860 0.5340 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8590 7.6690 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4260 8.7910 -0.3380 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5830 9.1550 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5530 8.4900 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0450 7.2570 -1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5440 6.1400 -0.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2430 7.0070 -2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7400 8.0340 -2.9950 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.8220 9.8520 0.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 7.6150 1.6980 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3320 0.1650 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 1.7280 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 1.6280 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 0.5210 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 0.4440 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 2.1550 3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 2.7780 2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 2.9820 3.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 4.3180 3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 2.1140 2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 2.9870 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8890 4.9490 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 5.1680 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9870 9.3360 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 9.3230 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 1.5790 1.2810 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5310 1.0810 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5600 5.7890 -2.6000 O 0 0 0 0 0 0 0 0 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 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 41 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 43 2 0 0 0 0 24 40 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 11 1 M CHG 1 23 -1 M CHG 1 25 -1 M CHG 1 41 1 M END