PUBCHEM-ZINC04534080 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 62 0 0 1 0 0 0 0 0999 V2000 0.8500 1.3800 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -0.1390 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -0.7370 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -0.4700 -0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2550 -0.0440 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -1.9650 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -2.5060 0.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -2.7020 -1.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -4.1560 -1.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6350 -4.4050 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -4.8090 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -4.6650 -2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -3.8900 -3.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -5.9820 -2.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -6.4420 -4.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -7.6840 -4.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -8.1350 -5.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -7.3520 -6.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -6.1140 -6.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -5.6600 -5.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -7.8380 -8.0280 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1660 -8.9270 -8.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -7.1490 -8.9140 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5040 0.0950 1.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 1.3770 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 2.0630 0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 1.9580 2.3480 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5230 1.3900 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 1.8860 3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 3.3560 2.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 3.9320 2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 3.2920 3.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3480 5.3700 2.4700 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4950 6.0070 2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 5.5320 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 1.6150 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 1.8060 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 1.8000 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -0.5590 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -0.3170 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -1.8190 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -0.5010 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.2690 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -4.4410 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -5.8910 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -4.5600 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -6.6110 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -8.2960 -3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -9.1010 -5.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -5.5050 -7.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -4.6960 -4.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -0.4540 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 2.4540 3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 2.3060 4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 0.8460 3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 3.8680 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 4.8940 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 6.5720 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 5.2440 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7500 6.7180 3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4900 5.7570 3.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2740 5.1400 3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END