PUBCHEM-ZINC05420453 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 32 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -0.6850 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -0.0080 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 -0.7160 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -2.1100 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 -2.8280 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -2.1500 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.8230 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -2.1830 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -2.8950 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -2.2100 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -0.8170 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8310 -0.1240 0.4720 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.0260 -0.8760 0.5850 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.8820 1.2910 0.4820 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3890 -0.0760 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.7180 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -4.3750 0.2110 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3840 -4.9840 0.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -4.9850 0.1060 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8130 1.8390 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.8140 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 1.8200 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 1.0710 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 -0.1840 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 -2.6320 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -3.9070 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4260 -2.7580 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 1.0030 0.2430 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 18 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 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 14 1 M CHG 1 15 -1 M CHG 1 16 -1 M CHG 1 19 1 M CHG 1 21 -1 M END