PUBCHEM-ZINC03736691 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.6230 -0.5220 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -1.5050 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -1.1690 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 -0.3390 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 0.0030 -2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -0.4880 -3.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -1.3490 -3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -1.6550 -2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -1.8490 -4.8770 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2090 -1.9490 -5.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -3.1750 -4.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -3.4820 -5.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -4.8560 -5.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -5.7320 -5.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -7.0780 -4.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -7.5490 -4.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -6.6830 -3.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -5.3520 -4.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -4.3190 -4.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -4.4120 -3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -8.9950 -3.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -5.3130 -6.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -2.4550 -6.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -1.2900 -6.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -0.1620 -4.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 0.5950 -5.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 0.5000 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -0.5250 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -0.7890 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -1.5110 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.5230 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.0590 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 0.6690 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -2.2790 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -7.7720 -5.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -7.0350 -3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -9.5810 -4.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -9.1210 -2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -9.3940 -3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 -5.2470 -7.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 -6.0260 -5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 -4.3420 -5.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -2.8920 -6.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 -2.0780 -5.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -1.5840 -7.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -0.4340 -6.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 0.7000 -6.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 1.6000 -4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 0.0770 -4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 -0.8130 -5.3960 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1110 -0.5040 -4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 0.0060 -5.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 50 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 50 1 M END