PUBCHEM-ZINC03738058 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 -0.9840 1.0430 3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -0.4320 2.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -1.0650 3.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -2.4130 3.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -3.2250 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -4.5990 2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -5.1320 3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -4.3470 4.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -2.9690 4.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 -5.2120 4.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -6.4840 4.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -6.4290 3.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -7.2090 2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 -7.7140 4.7450 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2150 -8.2720 5.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -6.2130 6.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -4.9200 5.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 -8.6150 3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -9.9990 3.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 -10.8520 2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -10.3300 1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 -8.9620 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -8.1070 2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -11.1100 0.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 -12.1590 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -11.9710 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -13.0660 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -14.3370 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 -14.5150 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -13.4240 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 1.4990 2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 1.5770 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 1.1750 4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -0.8650 2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -0.5350 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 -2.8200 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -5.2230 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -2.3320 4.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -6.0610 7.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 -6.5910 7.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 -4.4640 5.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 -4.2040 6.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -10.4370 4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 -11.9220 2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 -8.5580 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 -7.0420 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -10.9820 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -12.9270 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -15.1880 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -15.5050 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7360 -13.5590 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 -7.3050 5.6380 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3920 -8.1400 6.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -6.9970 5.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 52 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 52 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 46 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 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 M CHG 1 52 1 M END