PUBCHEM-ZINC00745705 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 1.0230 0.8800 2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.5320 2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -1.5910 3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -2.8860 2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -3.1260 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -2.0540 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -0.7640 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -4.5120 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -5.4480 1.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -4.7360 -0.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -6.0740 -1.0690 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4710 -6.8090 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -6.1480 -2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 -4.4960 -3.1250 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -3.6520 -1.5460 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9640 -3.0960 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -2.7300 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -2.9670 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -1.8910 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -1.0190 -1.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -1.5200 -1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -6.3640 -0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -5.4620 -0.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -7.6270 -0.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -7.9090 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -9.4070 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 -9.6980 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8750 -10.0070 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2210 -10.2730 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7770 -10.2320 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9870 -9.9240 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 -9.6620 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 1.1590 2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.5570 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 0.9440 3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -1.4030 4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -3.7110 3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -2.2330 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 0.0680 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -6.2460 -2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -6.9530 -3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 -3.8450 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -1.7520 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -1.0350 -2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -8.3480 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 -7.3510 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 -7.6110 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -9.9660 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 -9.7050 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 -10.0390 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8370 -10.5140 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8280 -10.4400 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4220 -9.8910 2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 -9.4250 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 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 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 M END