PUBCHEM-ZINC05379763 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 57 0 0 1 0 0 0 0 0999 V2000 -0.2420 0.0440 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -1.0240 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -1.7560 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -2.0380 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 0.7530 -1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 0.7500 -2.8520 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0320 1.2020 -3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 1.4410 -2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 1.5500 -4.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8730 1.3900 -4.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7350 2.2380 -3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 2.0990 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6710 1.1220 -4.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 0.2810 -5.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4150 0.4250 -5.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 -0.4780 -5.7540 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5520 -0.9380 -5.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8460 -0.7480 -6.9220 O 0 5 0 0 0 0 0 0 0 0 0 0 10.1740 0.9690 -4.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8110 2.2260 -5.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3200 2.0590 -5.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0010 1.6780 -4.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3730 0.4330 -3.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8650 0.5930 -3.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -0.6460 -3.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 -0.6950 -3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 0.7650 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 0.6020 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -0.4110 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -2.3340 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -2.4550 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -1.0650 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -1.5480 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -2.7950 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -2.5600 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 0.5330 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 1.6840 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 2.4500 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 0.8480 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 3.0270 -2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7710 2.7740 -3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 -0.4800 -5.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3530 0.1400 -5.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3550 2.4390 -6.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6240 3.1040 -4.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5170 1.2850 -6.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7510 2.9910 -5.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0680 1.5040 -4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9250 2.5140 -3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5730 -0.4350 -4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8420 0.2280 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6820 1.3600 -2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4450 -0.3420 -2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -0.3790 -1.6040 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4390 -1.0770 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -0.0900 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 54 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 54 1 M END