PUBCHEM-ZINC05907588 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 0.0330 1.3320 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 1.9020 -0.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 1.2550 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 1.7560 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 1.1030 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -0.0660 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -0.5670 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 0.0890 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9470 -0.7700 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8820 -0.3320 -1.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 -1.8970 0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3530 -2.5030 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4480 -3.8910 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6670 -4.4980 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8310 -3.7240 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7400 -2.3290 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4960 -1.7210 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0370 -1.8660 0.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3160 -0.9380 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8610 -2.9550 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1590 -4.0450 0.4500 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.6070 -5.4350 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0670 -5.6080 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0640 -4.3770 1.0830 S 0 0 0 0 0 0 0 0 0 0 0 0 -15.4240 -4.4900 0.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3710 -2.8250 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 1.9450 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 1.2920 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 0.3230 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 2.6600 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3230 1.4930 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6910 -1.4700 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -0.3000 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 -2.2880 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5500 -4.4910 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7320 -5.5740 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4190 -0.6450 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9850 -6.0750 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4920 -5.7370 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1680 -5.4510 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4040 -6.6120 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6530 -1.9980 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7480 -2.6460 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 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 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 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 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M CHG 1 21 1 M END