PUBCHEM-ZINC06243812 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 0.6880 1.2760 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -0.1910 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -0.4550 -0.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -0.8650 -1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 -0.9940 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -0.6500 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -0.3330 0.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -1.4290 -2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0740 -2.8890 -2.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9770 -3.5070 -3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1430 -2.5870 -3.9870 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 -4.8500 -3.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9530 -5.4980 -3.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3150 -5.0100 -5.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2940 -5.6530 -5.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9120 -6.7800 -5.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5540 -7.2680 -4.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5720 -6.6340 -3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9600 -7.4660 -6.2590 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.2770 -7.0380 -7.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5060 -8.4600 -5.8130 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0660 -1.1310 -2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 1.4720 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 1.4820 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 1.9170 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -0.8320 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -0.3970 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 -0.6520 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0520 -1.1100 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 -0.9780 -3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 -3.4100 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 -5.3660 -2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8330 -4.1300 -5.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5760 -5.2740 -6.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0400 -8.1490 -3.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2900 -7.0180 -2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -2.1750 -3.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -0.9250 -3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -0.4860 -3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 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 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 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 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END