PUBCHEM-ZINC05865641 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 68 0 0 1 0 0 0 0 0999 V2000 -0.1620 1.7030 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 0.1740 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -0.3750 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 -1.9040 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -2.4540 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -3.9830 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -4.5090 0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 -4.7680 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 -4.5710 -2.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2410 -5.2920 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8420 -5.5000 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0920 -5.9860 -0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7560 -6.2290 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2370 -6.0660 -1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1350 -5.6530 -2.0540 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.9460 -5.6060 -3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9690 -6.5290 -4.1790 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.7100 -7.5680 -3.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3670 -6.2320 -3.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3520 -6.5080 -2.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.4040 -7.1770 -1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2010 -8.4400 -0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2420 -9.0980 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4870 -8.5020 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6940 -7.2450 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6540 -6.5790 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0520 -6.6000 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6220 -9.2230 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9600 -6.2880 -5.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1390 -5.2070 1.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 -4.7310 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 -4.4890 2.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7640 -5.4220 2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 2.0940 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 2.0370 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 2.0680 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -0.1910 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -0.1590 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -0.0100 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -0.0420 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -2.2690 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -2.2380 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -2.0890 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 -2.1200 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -4.3480 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -4.3160 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0900 -4.5850 -3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 -5.9390 -3.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6170 -5.1850 -3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1010 -6.8720 -4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2290 -8.9060 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0840 -10.0800 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8150 -5.5960 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1150 -6.0160 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2030 -5.9450 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8210 -7.3720 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6290 -8.9690 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5670 -8.9230 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4890 -10.2990 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9670 -6.5000 -6.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6880 -6.9450 -6.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2200 -5.2500 -5.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5510 -6.4340 2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 -4.7030 3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8430 -5.2870 2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 31 32 2 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 M CHG 1 15 1 M END