PUBCHEM-ZINC04830721 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 76 0 0 1 0 0 0 0 0999 V2000 0.1730 1.0520 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -0.3330 0.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -0.7090 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -2.0840 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 -2.6030 -1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -1.7500 -2.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -0.3720 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 0.1460 -1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -2.3070 -3.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -2.3670 -5.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1930 -1.3770 -5.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -2.8480 -6.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -4.0370 -6.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -1.8400 -7.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 -2.0780 -8.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3510 -3.0010 -8.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -2.1750 -9.5290 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1860 -1.3850 -9.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 -1.9100 -10.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 -1.1070 -10.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9210 -0.1460 -10.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 -0.8720 -8.5750 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0140 0.0110 -8.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7570 -0.8710 -7.8170 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2080 -1.7460 -10.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5400 -3.0690 -10.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7440 -3.3400 -10.7900 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2220 -2.1300 -11.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 -1.1300 -11.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 0.1610 -11.4290 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6070 0.3990 -11.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6220 -0.4670 -12.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 -1.7620 -11.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4710 -2.6620 -12.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -3.5240 -9.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -3.4820 -11.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -3.0660 -11.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -3.3100 -4.8260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 -2.9420 -4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -1.7930 -4.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -4.0550 -4.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -3.7880 -3.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 -5.1050 -3.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 -5.7900 -2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -7.0210 -1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 -7.5800 -2.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9430 -6.9120 -4.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 -5.6810 -4.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 1.6420 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 1.4100 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 1.1820 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -2.7580 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -3.6780 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 0.3120 -3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 1.2200 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 -1.6920 -4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 -3.3090 -3.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 -0.8780 -6.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 -3.7830 -9.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7900 1.4250 -12.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3280 -3.6250 -11.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3260 -2.3340 -12.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 -4.3270 -9.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -3.7680 -9.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -4.2990 -4.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 -3.1710 -2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -3.2480 -4.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -5.3690 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -7.5430 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -8.5390 -2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 -7.3510 -4.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 -5.1760 -5.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 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 52 1 0 0 0 0 5 6 1 0 0 0 0 5 53 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 54 1 0 0 0 0 8 55 1 0 0 0 0 9 10 1 0 0 0 0 9 56 1 0 0 0 0 9 57 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 58 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 38 65 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 66 1 0 0 0 0 42 67 1 0 0 0 0 43 44 1 0 0 0 0 43 48 2 0 0 0 0 44 45 2 0 0 0 0 44 68 1 0 0 0 0 45 46 1 0 0 0 0 45 69 1 0 0 0 0 46 47 2 0 0 0 0 46 70 1 0 0 0 0 47 48 1 0 0 0 0 47 71 1 0 0 0 0 48 72 1 0 0 0 0 M CHG 1 24 -1 M END