PUBCHEM-ZINC02727616 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 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 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -0.3030 0.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 -0.8180 0.7820 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 -1.5390 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -1.5420 -1.2250 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8280 -2.1840 -0.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1450 -2.0720 0.3780 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.1890 -2.8010 -0.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 -2.3570 1.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6510 -0.3840 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5720 0.0660 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9690 1.3900 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4450 2.2640 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5250 1.8140 1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 0.4890 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8700 3.6820 0.4040 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.6800 4.0780 -0.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4080 4.4530 1.2270 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 0.5120 -0.3560 -0.8950 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -2.7000 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9810 -0.6180 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6880 1.7410 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 2.4980 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4150 0.1370 2.0510 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 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 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 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 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 32 1 0 0 0 0 18 33 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