PUBCHEM-ZINC05979248 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 0.4620 -1.7380 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -1.8750 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -0.4190 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 0.1300 -2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -0.4840 1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 0.9810 1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 1.1150 3.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 1.4080 4.3650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3330 2.2800 4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 1.7350 5.5510 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9060 3.2190 5.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 3.6950 7.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 5.0150 7.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 5.4660 8.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 4.7040 9.7840 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0160 3.4370 9.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 2.8880 8.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 4.0510 4.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 1.2780 5.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2490 1.1780 5.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 0.9780 3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 0.6690 2.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 0.2450 4.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -1.0320 4.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 -2.0900 5.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -1.8880 5.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -0.6270 4.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 0.4370 4.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -0.4740 4.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -2.6520 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -0.9050 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -1.5730 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -2.0640 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -2.6890 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 0.2870 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -1.3930 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -0.5500 -2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 0.2850 -2.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 1.0940 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -0.9930 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -1.0340 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 1.4950 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0150 1.5090 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 5.6810 6.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 6.4840 9.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 2.8540 10.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 1.8670 8.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 1.1670 6.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -1.2260 5.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -3.0720 5.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -2.7070 5.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 1.4140 4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 0.4630 4.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 -0.5840 -0.0470 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0910 0.1900 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 54 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END