PUBCHEM-ZINC04672871 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 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 0.7670 -2.3250 1.2320 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -2.7170 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -1.7280 3.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 -2.0160 4.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -3.2930 5.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -4.3800 4.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -4.1070 3.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -5.3040 2.6310 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 -6.1270 3.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 -5.6910 4.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 -3.5340 6.3770 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2200 -3.6480 7.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 -3.6180 6.3580 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2590 -0.9590 5.4940 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 0.4230 5.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 1.3830 6.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 2.8260 5.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 3.7220 6.6550 O 0 0 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 -1.0200 -0.3810 0.0100 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 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 1.9350 -0.6970 3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -1.1380 6.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 0.6070 4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 0.5820 5.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 1.1980 7.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 1.2230 6.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 3.0100 4.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 2.9860 5.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 4.6570 6.4480 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 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END