PUBCHEM-ZINC04660943 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 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 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8150 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5530 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.3880 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -4.2000 2.4270 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 -4.6820 3.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7110 4.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 -4.0780 5.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 -5.4330 6.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -6.4090 5.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 -6.0330 4.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -7.0630 3.2470 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1830 -8.2440 3.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -6.7290 2.2410 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4610 -5.8300 7.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 -7.0080 7.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9390 -4.8870 8.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -5.2820 9.4390 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2280 -6.1990 9.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1340 -5.5200 9.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8890 -5.9320 10.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7790 -4.8190 11.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3060 -4.5810 11.7490 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8720 -5.4980 12.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5520 -4.1690 10.4830 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9850 -3.2520 10.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -3.9310 10.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1960 -3.4680 12.7930 C 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 2.5600 -2.0380 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -2.0640 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 -2.6640 4.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -3.3230 6.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 -7.4560 5.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 -3.9480 8.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2130 -6.3120 8.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5680 -4.6030 8.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4550 -6.8480 10.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9380 -6.1010 10.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3160 -5.1120 12.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2120 -3.9020 11.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 -4.8480 11.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.1380 11.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -3.6380 9.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6300 -2.5510 12.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1470 -3.2990 13.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7340 -3.7620 13.6950 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 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END