PUBCHEM-ZINC04306232 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2440 -0.0640 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -2.0230 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.0910 -1.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 0.0550 -2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -0.1760 -3.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -0.0460 -4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2370 0.3400 -4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 0.5740 -3.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 0.4290 -2.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 0.9600 -3.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7840 1.2040 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2450 1.6140 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 2.8670 -2.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 0.4960 -5.9190 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0300 1.5730 -6.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6120 -0.4520 -6.3840 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2630 -0.2900 -5.8960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -2.3260 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -2.3750 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -2.4560 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 0.0750 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 1.0680 -4.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 2.0040 -1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 0.2950 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7300 1.7090 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7580 0.8540 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1980 3.1880 -3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -0.5590 -5.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -0.1930 -6.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 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 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END