PUBCHEM-ZINC04647383 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 73 0 0 1 0 0 0 0 0999 V2000 -0.1670 1.7000 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 0.4350 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 -0.1650 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 0.2160 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 -0.3320 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0920 -1.2670 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -1.6480 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -1.1000 1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3750 -1.8230 0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 -2.1540 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4300 -1.8800 2.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2700 -2.8470 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8890 -3.1620 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1060 -3.8090 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7200 -4.1500 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1070 -3.8380 2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8840 -3.1950 2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7280 -4.1830 3.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5900 -3.1860 4.9430 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.4350 -3.7300 5.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2000 -2.9630 5.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2880 -1.6320 4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6320 -1.3890 4.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1790 -0.1690 4.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3820 0.8080 3.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0380 0.5660 3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4900 -0.6520 3.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9680 2.1140 3.4160 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.1530 2.3270 3.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2660 2.9760 2.9180 O 0 5 0 0 0 0 0 0 0 0 0 0 -10.9510 -4.8040 1.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8570 -6.0900 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1820 -6.8440 0.6240 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.3890 -7.0330 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3080 -5.9960 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3530 -4.6430 0.7420 C 0 0 3 0 0 0 0 0 0 0 0 0 -14.1250 -4.0180 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9940 -3.9540 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6710 -4.8600 2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0910 -8.1740 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 2.1340 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4210 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 1.4470 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 0.6890 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -0.2850 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 0.9430 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 -0.0330 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 -2.3750 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -1.3990 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8380 -1.9720 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4140 -2.8970 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5820 -4.0510 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4060 -2.9570 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2390 -5.0040 3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2540 -2.1530 5.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2290 0.0200 4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4160 1.3300 3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4390 -0.8400 3.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6440 -5.9140 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0560 -6.6860 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1220 -5.8390 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2610 -6.5090 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0180 -2.9970 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7750 -3.7870 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8980 -5.4840 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7020 -3.8970 2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6380 -5.3540 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2870 -8.7760 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0350 -8.7110 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8860 -7.9850 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 44 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 48 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 50 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 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 51 1 0 0 0 0 14 15 1 0 0 0 0 14 52 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 31 32 1 0 0 0 0 31 38 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 40 1 0 0 0 0 35 36 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END