PUBCHEM-ZINC05686431 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -1.8450 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -2.5720 -0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -2.4260 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -2.7640 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -3.2700 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 -3.2520 -0.6640 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5290 -3.5560 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -2.7390 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -2.5430 -2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 -3.7130 1.4890 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9100 -4.1700 0.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9350 -4.6190 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8200 -4.5830 3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8590 -5.0370 3.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0130 -5.5260 3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1340 -5.5640 1.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1050 -5.1100 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3710 -6.0900 1.3240 N 0 3 0 0 0 0 0 0 0 0 0 0 -12.2820 -6.4890 2.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4790 -6.1250 0.1120 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2140 -2.5980 2.5980 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 -3.4390 -2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1220 -2.3550 -3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -1.6910 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9210 -4.2020 3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7720 -5.0100 4.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8230 -5.8800 3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2030 -5.1360 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -1.6140 2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -3.3680 3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -2.6940 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 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 11 2 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 14 15 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 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END