PUBCHEM-ZINC01973723 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 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 0.7620 -2.0180 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -2.6260 0.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -2.6890 2.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -4.0750 2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -4.8480 3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -6.2720 2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -6.5320 1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -5.0430 1.0160 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -7.9140 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -7.3230 3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -8.1950 4.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -9.1720 5.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 -9.2870 5.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 -8.4260 4.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 -7.4480 3.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 -10.3370 6.3810 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1870 -11.0970 6.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 -10.4410 6.5360 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6500 -4.3000 4.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -4.0870 5.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -4.0300 4.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -3.4870 5.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -3.2470 5.2630 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 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 1.7850 -2.2020 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -8.2620 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -7.8860 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 -8.5940 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -8.1050 4.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -9.8480 5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3270 -8.5200 4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -6.7790 3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 -2.5440 5.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 -4.1940 6.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5540 -4.1910 5.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1940 -2.5410 4.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5320 -2.8400 6.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 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 34 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 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 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 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 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END