PUBCHEM-ZINC02077983 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 75 0 0 1 0 0 0 0 0999 V2000 0.8990 0.6470 -3.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -0.3210 -1.9000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8470 -1.3460 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -0.0310 -0.8500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6230 0.9400 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -1.1170 0.2270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7840 -1.1710 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 -0.7960 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1510 -0.8260 0.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 -1.8730 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -2.6690 -0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -3.7220 -1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9930 -4.4400 -2.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 -3.9240 -1.7800 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -4.6460 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0960 -3.1160 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 -2.1260 -0.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4270 -3.3420 -1.4940 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3720 -2.5520 -0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0510 -1.6440 -0.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8280 -2.7990 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -2.4170 -0.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -3.3430 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -4.1870 -1.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -3.3340 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -2.6550 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -2.6770 2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -3.3620 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -3.9930 0.3740 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2040 -3.9960 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 -4.7040 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 -3.7700 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 -3.6740 -2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 -2.8170 -3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7820 -2.0570 -2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 -2.1540 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3110 -3.0140 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -0.0190 -1.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 0.7780 -0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 1.4430 0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 0.8430 -1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -0.1510 -1.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -0.9020 -1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -1.7560 -2.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9860 -0.6800 -1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 0.5190 -3.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 0.4400 -3.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 1.6710 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 0.1950 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -1.5400 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 -0.1210 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6840 -4.0690 -2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9970 -2.7070 -2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4380 -2.0660 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1020 -3.8020 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -2.1290 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -2.1650 3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 -3.3800 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -4.5190 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 -5.5530 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -5.0600 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -4.2670 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 -2.7410 -4.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 -1.3870 -3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8380 -1.5600 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5240 -3.0930 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 0.1800 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6440 1.8650 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1690 0.5310 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 0.1880 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 -0.5070 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -1.5600 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 42 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 8 9 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 10 1 0 0 0 0 9 51 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 22 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 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 35 36 2 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 67 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 70 1 0 0 0 0 45 71 1 0 0 0 0 45 72 1 0 0 0 0 M CHG 1 29 1 M END