PUBCHEM-ZINC04306191 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.6970 0.9100 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -0.4320 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -1.5780 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 -1.5000 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -1.3530 0.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -0.2990 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -0.3680 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 -2.1440 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5010 -3.1060 -0.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5630 -3.8820 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2960 -3.6920 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8870 -2.6810 2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8010 -1.9330 1.7910 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5360 -2.4110 3.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0330 -1.4650 4.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8020 -1.6370 5.5790 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.6690 -2.6600 5.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3900 -0.6220 6.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3910 0.4890 6.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6410 -0.2770 6.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2100 -1.4290 5.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4580 -4.5190 1.5270 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.5470 -5.6260 0.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3070 -4.0750 2.3160 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.8450 -4.8410 -0.8710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 0.9020 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 1.7220 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 1.1360 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -0.6570 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -1.2420 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -2.4910 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -1.5380 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -0.6340 -1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 -2.3900 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 0.6730 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 -0.3440 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 0.5120 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -1.2770 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4480 -2.8400 3.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 -1.6290 4.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1680 -0.4500 3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5270 -1.0580 7.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 -0.2930 6.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5230 1.1210 7.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0810 1.1280 5.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1700 -0.6270 6.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3330 0.3120 5.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 -4.8580 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5750 -5.5330 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -0.3960 0.1290 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5690 0.4640 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 7 50 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 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 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 50 1 M END