PUBCHEM-ZINC04557176 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.1590 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2840 -2.5140 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -2.6610 -1.4410 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9550 -3.7490 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -2.2190 -2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 -2.7500 -1.5240 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5430 -2.2700 -0.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -2.6910 0.6180 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3990 -3.7800 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 -2.1450 2.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6170 -1.0560 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 -2.6770 2.6550 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8460 -3.7660 2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 -2.1310 4.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1770 -2.7180 4.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 -2.2570 1.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -2.5650 2.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -2.2700 -2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5590 -3.0660 -2.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -4.1780 -1.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -4.8120 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 -4.0730 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6330 -4.7200 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6710 -6.1010 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6450 -6.8400 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 -6.1980 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -6.9890 -1.5020 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5240 -8.2060 -1.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -6.4220 -2.0290 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1520 -2.1110 -2.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.2200 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -1.1310 -2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -2.6200 -3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 -2.3760 4.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 -1.0480 4.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3350 -2.4170 5.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0830 -1.2970 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -3.5250 2.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5380 -2.9940 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4360 -4.1450 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5040 -6.6050 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 -7.9190 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -2.3880 -2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 -0.9570 -2.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7230 -0.6980 -2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 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 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 34 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M END