PUBCHEM-ZINC06181136 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 55 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -0.6080 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1600 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.4530 -3.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.8370 -3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -2.6090 -2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -1.9960 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -2.7510 -0.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -4.1700 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -2.4370 -4.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -3.8660 -4.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 0.3840 -4.2360 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2870 -0.1090 -4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 1.7040 -3.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 2.6900 -3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 3.6640 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 4.6340 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 4.6420 -3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 3.6710 -4.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 2.6890 -4.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 1.5900 -5.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 0.5420 -5.3290 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1850 -0.2800 -6.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -1.4950 -6.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -2.0940 -7.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -1.5390 -8.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -0.3400 -8.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 0.2880 -7.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 1.4590 -6.4980 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 2.0770 -6.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 1.2370 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -3.6860 -2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -4.4830 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -4.4590 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -4.6510 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -4.2280 -3.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -4.2450 -4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -4.2150 -5.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 1.8910 -3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 3.6670 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 5.3930 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 5.4100 -3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 3.6780 -5.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -1.9390 -6.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -3.0310 -8.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -2.0570 -9.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 0.0860 -8.8480 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 16 1 0 0 0 0 15 43 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 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 23 1 M END