PUBCHEM-ZINC04796591 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 72 0 0 1 0 0 0 0 0999 V2000 -0.7000 1.2810 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 -0.2310 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -0.6950 1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -2.1400 2.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5870 -2.3780 2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -2.3290 2.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -2.4130 1.7050 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7920 -0.9900 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -3.3760 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -3.0950 0.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -3.6320 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -3.2710 0.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -4.7040 -0.7950 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3970 -5.2540 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -4.0340 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -4.9990 -3.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -5.6490 -3.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -6.5470 -4.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -6.8020 -5.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -6.1600 -5.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -5.2630 -4.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -5.6350 -0.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -6.9990 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -7.5690 -0.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -7.7310 -0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -9.2000 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 -9.9300 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 -11.3930 -1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 -12.1300 -1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 -2.9730 2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -0.3820 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 1.8590 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 1.6600 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 1.4850 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -0.5610 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -0.0470 2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -3.2690 3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -1.5150 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -0.3940 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -1.0360 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -4.4250 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -3.2410 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -3.3140 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -3.4400 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -5.4670 -2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -7.0470 -4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -7.5010 -6.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -6.3590 -5.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -4.7730 -4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 -5.2260 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -7.2360 -1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 -7.6420 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -9.6960 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -9.2730 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 -9.4340 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2950 -9.8770 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -11.8870 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 -11.4400 -2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 -11.6990 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4360 -12.1650 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -2.3220 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -3.0690 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -3.9650 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 0.2030 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -1.4150 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -0.0260 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6510 -13.5330 -2.2250 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5250 -14.0690 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1730 -13.5780 -3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 -14.0140 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 67 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 67 70 1 0 0 0 0 M CHG 1 67 1 M END