PUBCHEM-ZINC06195265 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 72 0 0 0 0 0 0 0 0999 V2000 0.8300 0.7870 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.7330 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -1.0820 0.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -2.4860 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -2.7420 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -4.2460 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 -4.4900 0.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 -5.7510 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -7.0660 0.5800 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 -5.9760 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8350 -4.8470 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8950 -4.4240 -1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0870 -3.0100 -3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0990 -1.8660 -3.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5930 -0.7230 -2.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3220 -0.9620 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3020 -2.0970 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4080 -7.3490 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 -7.7380 -1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4130 -8.3940 -2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 -8.7580 -3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 -9.4370 -4.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -9.7660 -5.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 -9.4250 -6.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7400 -8.7550 -5.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6500 -8.4160 -4.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6800 -7.7480 -3.6150 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4760 -7.5130 -4.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5980 -7.4230 -2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5290 -6.8380 -1.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7910 -9.7540 -7.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9900 -9.3780 -8.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 -10.4250 -6.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -10.7420 -5.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 1.0530 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 1.1360 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 1.2560 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -1.2010 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -1.0810 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -2.9910 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -2.8710 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 -2.2370 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 -2.3570 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -4.7500 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -4.6310 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 -3.7450 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8290 -5.1460 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4840 -4.0110 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 -4.1260 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2450 -5.2600 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4940 -3.9010 -3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1600 -2.7220 -3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2570 -1.6150 -4.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0440 -2.1740 -2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9180 -0.0570 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2450 -1.2440 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3620 -1.7940 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1350 -2.3210 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 -8.0250 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4080 -7.4120 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 -8.6420 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 -9.7000 -3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6230 -8.4960 -6.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9340 -9.6990 -9.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8450 -9.8520 -7.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1050 -8.2940 -8.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 -11.3800 -4.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -11.2650 -5.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -9.8230 -4.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8200 -3.2920 -1.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 12 70 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 13 70 1 0 0 0 0 14 15 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 17 70 1 0 0 0 0 18 19 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 20 2 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 61 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 62 1 0 0 0 0 23 24 1 0 0 0 0 23 33 1 0 0 0 0 24 25 2 0 0 0 0 24 31 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 31 32 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 M END