PUBCHEM-ZINC05408614 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -4.7190 2.1040 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7730 0.9090 -1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -0.2230 -0.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 -1.4100 -1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6270 -1.6240 -2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 -2.8840 -3.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 -3.9410 -2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 -3.7420 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 -2.4740 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 -4.8130 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -6.1760 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -7.2970 -0.1370 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6740 -7.3980 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -8.4490 -0.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 -8.0810 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6260 -8.7860 -1.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 -6.6100 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 -5.9120 -1.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 -9.8290 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -10.4400 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -12.2560 2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 -12.8640 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -7.2170 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -7.4720 1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -7.4530 2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -7.2120 4.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 -6.9400 3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 -6.9360 2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 -4.5450 -0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 3.0020 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3100 1.9140 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 2.2910 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8130 0.7330 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 1.1190 -2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -0.8310 -3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -3.0350 -4.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 -4.9030 -3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 -2.3070 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -10.3940 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -9.8700 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 -9.8230 1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6420 -10.5260 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 -12.3170 2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -11.5170 3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -13.2290 2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 -12.5900 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -12.9030 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 -13.8260 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -7.6750 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -7.6400 3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -6.7210 4.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0440 -6.7220 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4440 -6.5690 -1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9860 -11.8250 1.3910 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9610 -11.7720 1.3140 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 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 29 2 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 54 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 54 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 54 1 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 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END