PUBCHEM-ZINC06256391 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -1.4080 1.7680 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 0.6950 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 -0.1760 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -0.1330 1.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 0.2580 2.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 1.2590 3.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -0.5520 3.4820 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7130 -1.3040 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -1.2320 4.6850 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3010 -1.9510 5.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -0.2230 5.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 0.8990 5.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 1.6590 6.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 1.2150 5.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 0.3600 4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 0.3480 3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -1.9470 4.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -3.2920 3.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -3.9520 3.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 -3.2660 3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 -1.9120 3.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -1.2580 4.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1530 -1.2350 3.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1330 0.1520 3.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -5.3910 3.1560 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6100 -5.9940 3.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -5.9720 2.7880 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7680 1.2900 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 2.3890 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 2.3890 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 1.1730 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -0.6540 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 -0.9410 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 0.4450 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -0.3710 6.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 2.0240 5.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -0.3220 2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 1.0080 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -3.8270 3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -0.2090 4.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 0.5710 3.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 0.2640 5.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 0.6780 3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 -3.9130 2.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5600 -4.3070 3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 16 37 1 0 0 0 0 16 38 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 39 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END