PUBCHEM-ZINC03679335 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.8590 1.0980 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 2.1040 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 3.3510 1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 3.2300 2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 2.4720 3.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 2.7810 4.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 3.1690 4.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 3.4810 6.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 3.3990 7.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 2.9710 7.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 2.6490 5.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 2.2280 5.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 1.9640 6.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 3.8090 8.6080 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0440 3.6200 9.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 3.0810 8.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2060 3.6470 9.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1170 2.5900 9.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4480 2.5310 10.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0630 1.2840 10.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3740 0.1070 10.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0540 0.1410 9.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4510 1.3950 9.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1840 1.7200 8.9940 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4850 1.0410 8.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3910 5.1200 9.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 5.8720 9.6110 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5940 5.8550 10.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4030 7.2970 9.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 7.4640 7.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 0.1280 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 1.5640 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 0.9730 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 2.6180 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 1.0950 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 2.6660 1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 3.7510 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 3.9950 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 4.2410 2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 2.7020 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 3.2300 3.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 3.7930 6.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 2.9080 8.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 1.5740 6.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 2.8830 7.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 1.2010 7.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9960 3.4410 10.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0900 1.2360 10.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8710 -0.8510 10.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5200 -0.7760 9.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9910 5.4490 8.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9780 5.3550 10.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 1.9910 1.2710 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1780 1.5510 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 5.2820 8.6440 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1240 5.7820 8.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 5.6840 7.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9980 8.0480 9.9330 O 0 5 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 53 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 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 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 55 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 55 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 M CHG 1 53 1 M CHG 1 55 1 M CHG 1 58 -1 M END