PUBCHEM-ZINC05765499 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 -1.0610 -0.1370 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -1.1260 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -1.3350 1.2200 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2400 -0.3910 1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -1.6460 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -1.4850 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -0.6060 -1.1040 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3050 0.8790 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -0.6830 -2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -1.3750 -3.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -2.3950 2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -3.5490 2.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -1.9250 3.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -2.7600 4.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -2.2650 4.8190 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6750 -2.2340 3.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 -3.2030 5.8840 C 0 5 0 0 0 0 0 0 0 0 0 0 -1.9550 -3.1040 6.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 -3.0580 6.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -0.9460 5.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -0.3580 5.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -2.4560 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 0.7960 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 0.1160 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -0.5620 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 -0.9260 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -2.6400 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 -1.0520 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 -2.4760 -1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 1.0900 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 1.1650 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 1.5530 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -0.9540 3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -3.8000 3.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -2.7110 5.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 0.6930 5.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 -0.4050 4.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -0.8380 6.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -2.3220 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -3.2410 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -2.8360 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -0.0270 -2.6600 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M CHG 1 17 -1 M CHG 1 42 -1 M END