PUBCHEM-ZINC04773679 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 3 0 0 0 0 0 0 0 0 0 0 0.5370 -0.4140 1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -0.4360 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -1.9590 0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4190 -2.3840 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -2.3360 0.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0260 -1.4410 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -3.1820 -1.2690 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9720 -2.5720 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -3.6460 -1.5600 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0120 -3.8750 -2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -2.5020 -1.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -4.8080 -0.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 -6.1060 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -6.8560 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -8.2480 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -8.7800 -1.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -8.0310 -2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -6.7300 -2.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -9.0400 0.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -6.0080 1.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -4.8050 0.6310 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 -4.3020 -1.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 -3.1080 1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.0090 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -1.4970 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 0.0170 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -0.0280 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -0.0190 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -8.5060 -3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -8.6400 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 -9.9970 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 -4.8620 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -3.3730 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 M CHG 1 2 1 M END