PUBCHEM-ZINC06891230 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 71 0 0 1 0 0 0 0 0999 V2000 1.0990 1.4400 3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -0.0480 3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -0.3440 1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -1.7970 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -2.8320 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -3.9670 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 -3.6800 0.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -2.3760 0.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 -1.8470 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -2.5700 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 -2.1010 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6270 -0.8970 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -0.1980 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 -0.6650 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9560 -0.4050 -1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8070 -0.2230 -3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4360 0.9470 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0650 -1.4420 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -5.3640 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -5.5190 -0.2400 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9140 -4.6680 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -5.5220 -1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -6.8060 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 -6.9730 -0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 -8.1040 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4780 -8.3920 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2570 -9.5000 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3610 -7.1520 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 -8.8760 -2.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -2.7810 2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -3.8680 2.4290 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0790 1.8180 3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 1.6290 4.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 2.0080 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.4040 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -0.5870 3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -0.0370 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 0.2850 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -3.5070 -1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5410 -2.7020 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 0.7300 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -0.0810 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0020 0.4840 -3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7310 0.1640 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 -1.1650 -3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 0.8880 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3790 1.2610 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7060 1.7450 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 -2.4100 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0330 -1.1010 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1780 -1.6160 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -6.0540 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -5.6790 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -5.5600 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -4.6120 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -6.3820 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -7.6850 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 -6.7850 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 -6.0310 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 -7.1900 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 -9.0170 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 -7.8620 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5450 -9.1980 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1650 -9.7650 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 -10.4160 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 -6.4060 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3130 -7.4090 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5790 -6.6890 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9730 -9.0880 -2.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -1.6560 2.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 25 62 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 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 69 1 0 0 0 0 30 31 1 0 0 0 0 30 70 2 0 0 0 0 M CHG 1 31 -1 M END