PUBCHEM-ZINC05114754 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.1330 1.1890 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -0.2830 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -0.0250 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -0.0810 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -2.2730 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -2.6450 -2.3930 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8540 -2.4470 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -4.1040 -2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -4.7440 -3.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 -5.4800 -3.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -5.9930 -4.9180 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -5.5770 -5.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -4.7800 -5.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -4.1070 -5.5100 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8780 -3.0690 -4.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -4.5970 -6.4950 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1030 -5.6750 -2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -1.7130 -2.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -2.0620 -3.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 1.8280 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 1.4080 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 1.4680 1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -0.5050 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -0.8700 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 1.0080 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -0.4830 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 0.4500 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 -1.1080 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 0.4020 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -2.6820 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -2.6120 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -4.7080 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -4.1970 -2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -5.8600 -6.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -6.3050 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 -6.1660 -2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 -4.7150 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -0.7500 -0.8170 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3670 -0.5700 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 38 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 13 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 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 38 1 M END