PUBCHEM-ZINC02051812 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 0.3790 -2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -1.8530 -1.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -2.3050 -2.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -3.6270 -2.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -4.0190 -3.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -4.5130 -1.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -5.9210 -2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -6.7560 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -7.1500 -1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -7.9160 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -8.2880 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -7.8950 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -7.1330 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -9.1080 1.9250 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1540 -9.4540 1.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -9.4360 2.8870 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 0.0310 -2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 1.4380 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -2.4920 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -1.6660 -3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -6.1550 -3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -6.1390 -2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -6.8590 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -8.2230 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -8.1860 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -6.8290 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 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 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END