PUBCHEM-ZINC03870439 MOE2007 3D CORINA 3.40 0006 02.08.2006 78 81 0 0 1 0 0 0 0 0999 V2000 2.2290 2.1310 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 1.7160 2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 2.2910 2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4960 1.9460 2.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7170 3.2110 1.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6530 3.5790 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 3.6370 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 3.1640 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 3.6260 -0.2580 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8810 2.7630 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 4.7660 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 4.6170 -1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 4.6030 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 4.2880 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 4.6600 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 4.8610 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 5.2340 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 5.4360 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1220 5.8110 1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4900 6.0120 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5530 6.3890 2.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9200 6.5910 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9730 6.9680 2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4350 7.6370 2.6220 C 0 0 3 0 0 0 0 0 0 0 0 0 -14.0530 8.4990 3.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7920 6.4990 3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1940 6.6530 4.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2370 6.6680 3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8680 7.6330 1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6150 8.1010 1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4020 9.1330 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3950 9.5500 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7480 8.9800 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6700 9.3270 -0.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.8920 8.0620 1.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.8290 7.6960 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 1.6550 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 0.9440 3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 4.7850 -2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 5.7410 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 3.6880 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 5.4410 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1610 5.6070 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 4.3360 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 3.3420 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 5.0820 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 3.8710 1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 5.5800 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 5.6510 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 3.9410 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 4.4450 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 6.1540 1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9890 6.2250 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3570 4.5160 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1920 5.0220 2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8240 6.7310 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4200 6.8000 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7890 5.0910 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6220 5.6000 2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2540 7.3090 2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8490 7.3770 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2200 5.6700 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0940 6.1760 3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7290 7.9150 2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7280 5.5230 3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0680 6.4780 4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4060 5.8290 4.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2520 7.5820 4.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3420 5.6650 2.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2060 6.9380 3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4290 9.6060 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2670 10.3220 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 4.1090 0.6030 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0300 3.4430 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 4.9880 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2870 7.1490 1.7590 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.1470 7.8130 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5670 6.2700 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 73 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 73 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 23 76 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 24 76 1 0 0 0 0 26 27 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 28 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 29 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 30 2 0 0 0 0 29 35 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 71 1 0 0 0 0 32 33 1 0 0 0 0 32 72 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 73 74 1 0 0 0 0 73 75 1 0 0 0 0 76 77 1 0 0 0 0 76 78 1 0 0 0 0 M CHG 1 73 1 M CHG 1 76 1 M END