PUBCHEM-ZINC03872462 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 69 0 0 1 0 0 0 0 0999 V2000 -2.6430 1.4150 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 1.1280 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 2.3320 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -0.1400 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -1.4440 0.8640 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3380 -1.3510 1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -2.6540 0.3480 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5670 -2.4750 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -3.9130 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -3.9780 1.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -4.9240 1.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -6.2590 1.6190 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9050 -6.1630 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -7.2480 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -6.9140 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -7.3460 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -6.7290 1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -6.1020 1.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -7.8940 2.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -8.5720 2.9880 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1610 -8.2030 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -8.3560 4.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -6.9240 4.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -8.6880 5.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -10.0580 2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -10.6110 2.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -10.6600 2.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -12.0830 1.7240 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5170 -12.2630 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 -12.3940 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 -11.3250 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 -11.7610 -0.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -13.0700 2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -12.7720 3.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -2.8510 -1.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 2.3650 2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 0.6380 2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 1.4770 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 1.0050 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 3.2360 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 2.5250 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 2.1620 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -0.2600 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 0.0220 0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -4.7830 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -8.2480 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 -5.9880 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -7.7140 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 -6.8130 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -7.6460 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -8.0970 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -6.3930 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -8.3580 3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -9.0270 4.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -6.1940 4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 -6.8080 5.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 -6.6720 3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -9.7300 5.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -8.5460 6.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -8.0450 5.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -10.1000 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4470 -12.4700 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -13.3720 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -3.6020 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -10.1270 0.5400 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4240 -14.0920 2.6540 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.9080 -1.7310 0.6220 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0720 -1.8800 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 -1.0140 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -2.6330 1.0970 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 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 67 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 35 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 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 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 53 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 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 61 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 2 0 0 0 0 31 65 1 0 0 0 0 33 34 2 0 0 0 0 33 66 1 0 0 0 0 35 64 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 67 70 1 0 0 0 0 M CHG 1 65 -1 M CHG 1 66 -1 M CHG 1 67 1 M END