PUBCHEM-ZINC04452564 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 0 0 0 0 0 0999 V2000 0.3010 1.6530 -0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 0.2450 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 0.0270 -2.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -0.7720 -0.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -2.1330 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -2.7080 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -2.6110 0.4940 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -4.0510 -1.2740 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -1.9870 -1.5510 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -3.0110 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -2.5630 -1.0900 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -4.3370 -1.0520 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -2.9350 0.7470 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -2.1030 -2.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -3.3580 -3.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -3.5470 -4.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -4.8230 -5.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -5.0060 -6.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -3.9200 -7.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -2.6480 -6.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -2.4590 -5.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -4.1200 -8.8170 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4560 -5.2390 -9.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -3.1640 -9.5490 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5420 2.1250 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 1.6310 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 2.2210 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -0.6030 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -1.6680 -2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -4.1190 -2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -5.6710 -4.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -5.9980 -6.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 -1.8030 -7.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -1.4660 -5.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END