PUBCHEM-ZINC03032352 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 1.9830 -0.1980 1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.6110 1.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -2.0490 1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -1.1310 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -1.5620 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -2.9190 1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -3.8510 1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -3.4040 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -5.0810 1.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -4.9400 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -3.6340 1.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 -6.0510 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2350 -5.7800 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1230 -6.8070 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6680 -8.1310 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 -8.4010 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -7.3730 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5540 -9.1570 0.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2840 -10.1440 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2020 -11.2060 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9240 -12.2250 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8800 -13.3320 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9040 -13.5150 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7960 -14.5550 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6810 -15.4150 -1.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6710 -15.2410 -2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7740 -14.2030 -2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 -14.0140 -3.5560 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.3620 -12.8900 -3.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1490 -14.9820 -4.0500 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0440 0.0160 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 0.2710 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 0.1990 2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -0.0740 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -0.8440 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -4.1140 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5860 -4.7590 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1760 -6.5980 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -9.4220 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -7.5810 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 -10.1450 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1270 -11.2050 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 -12.2260 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9940 -12.8450 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5860 -14.6980 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3830 -16.2280 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5880 -15.9170 -3.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END