PUBCHEM-ZINC06358761 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 60 0 0 1 0 0 0 0 0999 V2000 1.3030 1.7880 2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 0.3760 2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 0.0660 2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 0.1440 0.6480 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7810 0.4440 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 0.9620 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 0.2430 -1.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -1.2950 0.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -2.2540 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -2.0080 1.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -3.6600 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -4.6470 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -6.0760 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -6.4600 0.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -5.5910 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -4.1470 0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 -7.5520 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -8.2400 2.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -7.9230 2.0690 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5330 -7.0270 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -8.7780 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -8.6500 3.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -8.8570 4.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 -8.4890 3.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -9.5380 5.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -9.9070 6.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -10.8650 5.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -10.6450 7.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -8.6660 7.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 2.0370 2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 2.5450 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 1.8640 3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -0.3120 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 0.7530 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -0.9560 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 0.1590 3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -1.5040 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 -3.6090 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -4.3480 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -4.6180 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -6.1570 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7780 -6.7550 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -5.6630 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -5.9120 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -4.0720 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -3.5060 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -9.7050 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -9.0580 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -8.2520 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -9.0200 3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -11.6980 5.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 -11.2740 6.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -10.3700 5.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -9.9990 7.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -10.9830 8.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -11.5180 6.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -8.1320 6.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -8.9340 7.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -7.9550 7.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 2.2000 -0.5300 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 60 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 M CHG 1 60 -1 M END