PUBCHEM-ZINC00169270 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 1.7420 0.4640 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -0.3630 0.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -1.2590 1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -0.8420 2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -1.7600 3.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -3.0960 3.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 -3.5210 2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -2.6000 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -3.0690 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -2.6090 -0.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -4.0240 0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -4.6990 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -5.6040 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 -6.4270 -1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -7.8220 -1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -8.6310 -2.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 -8.0530 -3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 -6.6650 -3.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 -5.8550 -2.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -4.4750 -2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -3.5950 -3.1060 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5370 -0.1240 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 1.0150 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 1.1930 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 0.1920 3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -1.4340 4.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0350 -3.8070 4.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -4.5610 1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -4.2520 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -5.7980 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -8.2840 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -9.7120 -2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 -8.6820 -4.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -6.2090 -4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 -4.7730 -2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -5.2390 -2.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 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 29 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 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 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 2 0 0 0 0 M CHG 1 21 -1 M END