PUBCHEM-ZINC06176213 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 0.4250 1.5230 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 0.0270 -0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8900 -0.1800 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -1.6030 -1.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -2.0120 -3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -3.2040 -3.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -3.6450 -5.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -4.8770 -5.7490 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5750 -5.6830 -5.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -5.4430 -6.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -5.5210 -8.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -5.8510 -6.6400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 -6.3340 -7.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 -6.4690 -8.8260 N 0 5 0 0 0 0 0 0 0 0 0 0 4.4060 -7.1200 -8.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.7110 -7.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 1.7710 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 2.0960 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 1.8690 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -1.3620 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -2.4430 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -1.1620 -3.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.2670 -3.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -4.0420 -3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -2.9260 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -2.8090 -5.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -3.8550 -4.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -5.8300 -5.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -0.6710 0.9840 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7210 -1.6640 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -0.2730 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.6200 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -0.4350 -1.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 0.3160 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -6.9750 -9.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -4.5140 -6.2390 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8590 -3.5540 -6.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -4.6500 -5.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -5.1170 -7.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 33 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 35 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 33 34 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M CHG 1 14 -1 M CHG 1 29 1 M CHG 1 36 1 M END