PUBCHEM-ZINC06636733 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.2690 -0.8380 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -0.1370 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -2.0570 1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -2.5140 2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -0.0510 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 1.4350 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 1.5900 2.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 2.8440 3.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 2.9320 4.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 4.1540 5.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 5.3150 4.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 5.2250 3.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 3.9990 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 6.6430 5.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 6.6820 6.4510 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9670 5.9560 7.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 8.1020 7.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 8.4600 7.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -1.9160 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -0.4500 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -0.6730 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 0.9460 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -0.3260 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -2.2060 2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -2.6060 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -2.4950 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -3.5460 2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -1.8900 3.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -0.2600 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 -0.6100 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 1.7390 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 2.0350 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 2.0420 5.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 4.1900 6.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 6.1130 2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 3.9900 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 7.4480 4.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 6.8600 5.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -0.5750 1.3670 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6540 -0.0990 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 8.6570 7.4680 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5850 6.3480 5.9520 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1000 7.2090 6.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 6.3480 4.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 5.5120 6.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 39 1 0 0 0 0 4 26 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 5 39 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 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 39 40 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 39 1 M CHG 1 41 -1 M CHG 1 42 1 M END