PUBCHEM-ZINC04156404 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 69 0 0 0 0 0 0 0 0999 V2000 4.5250 0.0860 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -1.2830 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 -1.4480 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -2.6970 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -3.7990 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2390 -3.6260 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 -2.3710 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2400 -2.1870 -0.1220 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0070 -3.0970 -0.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7790 -1.1130 0.4160 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2760 -5.1400 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 -6.0970 0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -5.3040 0.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -6.5390 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -7.4120 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -8.6570 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -9.0630 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -8.1870 2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -6.9330 2.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -6.0800 3.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -6.5500 4.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -10.4030 1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -11.1540 0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -12.3520 1.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -13.4270 1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -14.5150 2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -14.5310 3.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -13.4300 3.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -12.3330 2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -11.1720 2.6430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 -10.7580 -0.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -11.8510 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -11.6010 -2.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 -12.7400 -2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0230 -12.8030 -1.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7390 -13.0540 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8810 -11.9150 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 0.5990 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 -0.0130 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 0.6610 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -0.5950 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -2.8240 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 -4.4740 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -7.1030 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -9.3290 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -8.4940 3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -6.7940 4.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -7.4410 4.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 -5.7740 5.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 -13.4180 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -15.3620 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -15.3880 3.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -13.4280 4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -10.3910 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -12.7960 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3760 -10.6560 -2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 -11.5550 -2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9050 -12.5610 -3.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 -13.6840 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 -11.8590 -2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6350 -13.6140 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6800 -13.0990 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 -13.9980 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -12.0930 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4130 -10.9700 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 20 21 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 2 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 23 31 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 37 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END