PUBCHEM-ZINC05852360 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.1780 -0.1240 -3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -1.1690 -2.6810 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -1.5120 -2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -0.9540 -2.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -2.5640 -0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -2.9200 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -3.9020 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -4.5400 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -4.1860 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -3.2100 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -4.8660 0.5650 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3500 -4.2120 0.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -6.0790 0.4920 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0050 -5.5310 1.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -5.3540 2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -6.4280 3.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -7.7200 3.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -7.9280 2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -6.8690 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 -4.2810 1.4410 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5460 -3.7230 1.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 -5.1500 2.2930 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8120 0.0140 -4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -0.4200 -4.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 0.8100 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -1.6140 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 -2.4260 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -2.9390 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -5.4480 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -4.3660 3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -6.3360 4.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -6.3000 4.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -8.9200 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -7.8440 3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 -6.9870 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -6.9870 0.7140 H 0 0 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 26 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 27 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 28 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 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 20 1 M CHG 1 22 -1 M END