PUBCHEM-ZINC00398720 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 0.0670 0.3620 1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 0.1150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 0.7940 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -0.7400 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 -1.3970 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.2540 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -2.4910 -3.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -1.8600 -3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -1.0050 -2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -3.3110 -4.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -4.0500 -4.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -4.1950 -3.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -4.6310 -6.1700 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9820 -3.7540 -6.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 -5.3080 -6.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -6.6620 -5.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -7.5940 -6.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -6.9170 -5.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -5.6140 -6.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0680 -5.8700 -7.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -5.1020 -6.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 -3.9270 -6.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 0.8170 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -0.5680 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 1.0510 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 1.4330 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 0.0690 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 1.4410 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -1.2590 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -2.7110 -2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 -2.0230 -3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -0.5470 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -3.3890 -5.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -4.6520 -6.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -5.4600 -7.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 -6.5170 -4.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5110 -7.1430 -6.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -8.4880 -5.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -7.9340 -7.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -6.7140 -4.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -7.6170 -5.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -5.8960 -6.9230 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 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 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 M CHG 1 42 -1 M END