PUBCHEM-ZINC03871753 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 0 0 0 0 0999 V2000 1.9010 5.5820 -5.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 4.3170 -5.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 3.3610 -4.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 3.6580 -3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 2.7040 -2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 3.0280 -1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 4.2990 -1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 5.2510 -2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 4.9460 -3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 5.8960 -4.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 1.7980 -0.7930 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8860 2.3940 0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 1.1550 -0.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5980 0.6730 -1.8050 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6770 1.1170 -2.7440 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7820 2.2040 -2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0020 0.4710 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8130 -0.8860 -1.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0160 -0.8720 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 0.6370 -4.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 -0.3900 -4.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5110 1.4130 -5.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4020 2.5650 -5.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 2.6290 -6.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6070 2.2060 -7.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 1.1260 -6.5740 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3400 0.1300 -6.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 1.1750 -6.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.1480 -5.9190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -0.1420 -6.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 0.3970 -6.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -1.2020 -5.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -1.4590 -5.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -2.4880 -3.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -3.5550 -4.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -4.1410 -5.9840 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6930 -4.7050 -6.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -4.0280 -6.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -3.7400 -4.9230 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 -3.3070 -4.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 -4.3010 -5.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 6.3260 -6.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 4.0690 -6.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 2.3790 -4.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 1.7120 -2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 4.5620 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 6.2400 -2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 6.8920 -4.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 -0.0620 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7320 0.4900 -3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4310 1.0010 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8170 3.4480 -4.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2380 2.4520 -4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2140 3.6220 -6.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 1.9060 -6.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 3.0710 -7.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8330 1.8320 -8.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 2.1400 -6.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1310 1.0550 -7.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 -0.3590 -5.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -2.1250 -5.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -0.8720 -4.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.5250 -4.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -1.7920 -6.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -3.4220 -4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -2.1010 -2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -2.7980 -4.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -2.4740 -3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 42 1 0 0 0 0 2 3 2 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 10 48 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 35 36 2 0 0 0 0 35 39 1 0 0 0 0 35 67 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 36 1 M END