PUBCHEM-ZINC00449693 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 -0.0450 1.5190 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.0100 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -0.4890 1.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -1.8190 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -2.5590 0.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 -2.3900 2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -3.9180 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -4.4940 3.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -3.9450 4.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -2.4870 5.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -1.9340 3.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -4.7640 5.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -4.2970 6.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -6.2150 5.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -7.0290 6.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -8.4880 6.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -9.0320 5.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -10.4000 5.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -11.2320 6.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -10.7000 7.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -9.3350 7.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -11.6000 8.2240 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2770 -12.8060 8.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -11.1330 9.2430 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9770 1.8990 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 1.8790 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 1.8700 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -0.3900 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -0.3620 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -2.0380 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -4.2720 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 -4.2420 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -5.5800 3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -4.2160 3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -2.2490 5.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -2.0450 5.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -0.8450 3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -2.3060 3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -6.6330 4.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -6.6110 7.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -8.3840 4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -10.8220 4.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -12.3020 5.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -8.9220 8.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END