PUBCHEM-ZINC04660937 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 6.2430 -6.1820 9.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 -5.5610 10.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4140 -5.9730 11.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3540 -4.8420 12.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3560 -4.5640 11.1290 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9370 -5.4630 10.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6010 -4.1510 9.8630 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3150 -3.9530 9.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 -2.8880 10.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2950 -3.4330 11.5530 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 4.0790 -4.6610 10.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -6.3660 10.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 -6.1720 12.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9960 -6.8730 11.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 -3.9420 12.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8920 -5.1360 13.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 -3.0870 10.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4550 -2.0830 10.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 -2.5950 9.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8330 -3.7270 12.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0090 -3.2340 10.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7140 -2.5330 11.7540 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