PUBCHEM-ZINC02164952 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.1550 1.5550 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 0.1100 0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -0.6900 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -0.2320 2.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -2.1250 1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -2.9860 2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -4.3240 1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -4.8130 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -3.9660 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -2.6240 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -6.2500 0.7460 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2880 -6.9980 1.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -6.6830 -0.2580 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6690 -0.3680 -1.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -0.6350 -1.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -0.4000 -1.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -1.2160 -3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -1.4960 -4.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -2.0380 -5.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -2.3050 -5.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -2.0300 -4.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -1.4930 -3.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -2.8860 -7.0390 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0800 -3.1280 -7.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -3.1220 -7.3550 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8900 1.7920 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 2.0780 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 1.8700 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -2.6050 2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -4.9900 2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -4.3540 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -1.9630 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -1.2880 -3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -2.2540 -6.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -2.2400 -5.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -1.2840 -2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 23 1 M CHG 1 25 -1 M END