PUBCHEM-ZINC04523440 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 71 0 0 1 0 0 0 0 0999 V2000 -0.8530 1.0530 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 0.5820 -0.2140 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9750 1.4250 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -0.3700 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -1.5050 0.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 0.1460 1.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -0.6420 2.6190 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4130 -1.7010 2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 -0.4490 2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 -1.0360 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0140 -1.1070 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7940 -0.3430 1.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4010 -2.1130 -0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7950 -2.4580 -0.4100 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3990 -1.5430 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3190 -3.4810 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4540 -2.9130 2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1920 -3.8860 2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3640 -3.2880 4.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8820 -3.0780 -1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8870 -3.4830 -2.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1710 -3.1770 -2.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5460 -3.8360 -3.5220 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9530 -4.7510 -3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3360 -2.9250 -4.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0300 -4.2040 -3.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7130 -3.7330 -2.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5040 -5.0730 -4.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8860 -5.5670 -4.3890 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5540 -4.7050 -4.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 -6.5850 -3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1460 -6.2640 -5.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0960 -6.4210 -6.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -0.2790 4.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -0.0590 4.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -0.1070 3.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 0.1500 5.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -0.3200 4.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 1.6570 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 1.6680 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 0.2070 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 1.1030 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 0.6190 2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 -0.9260 3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 -2.0460 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1070 -0.4220 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7080 -2.6560 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6590 -4.3590 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3020 -3.8480 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0030 -1.9640 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 -2.7090 2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6400 -4.8320 3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1750 -4.1170 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8870 -2.3280 4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4120 -3.1730 4.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9480 -2.7940 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9430 -2.0160 -4.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6160 -3.4260 -5.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2880 -2.6170 -4.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9220 -5.4360 -5.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2050 -6.9430 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0140 -6.1520 -2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5110 -7.4560 -3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2050 -4.2020 5.1320 N 0 3 0 0 0 0 0 0 0 0 0 0 10.4530 -3.7800 6.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0890 -4.4150 4.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7380 -5.0970 5.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3440 -6.5710 -6.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1090 -0.1220 -1.4540 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6850 -0.6220 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 0.5150 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.8510 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 69 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 42 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 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 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 47 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 64 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 2 0 0 0 0 32 68 1 0 0 0 0 34 35 1 0 0 0 0 34 38 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 64 67 1 0 0 0 0 69 70 1 0 0 0 0 69 71 1 0 0 0 0 69 72 1 0 0 0 0 M CHG 1 64 1 M CHG 1 68 -1 M CHG 1 69 1 M END