PUBCHEM-ZINC04523444 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 71 0 0 1 0 0 0 0 0999 V2000 0.0140 -0.1610 1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -0.5970 0.2710 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3980 0.2220 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -1.1390 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -2.2620 -0.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -0.2880 -0.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -0.6400 -0.5980 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8620 -1.7030 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9370 -0.3190 -2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -1.2320 -3.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -1.0850 -4.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 -0.2260 -4.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -2.0180 -5.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -2.1460 -6.7280 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4430 -2.1880 -6.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7470 -1.0030 -7.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 -0.1300 -8.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 1.0410 -8.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 1.9230 -9.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -3.4970 -7.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -4.0240 -6.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -4.0270 -8.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -5.3110 -8.8690 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8370 -5.3550 -8.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 -6.4760 -8.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -5.3380 -10.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -4.4780 -10.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 -6.3840 -11.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 -6.6460 -12.4670 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4670 -6.5700 -12.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -5.6480 -13.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -8.0720 -12.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -8.6570 -12.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 0.1890 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9510 -0.2200 0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2930 -1.0170 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6190 0.3010 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 1.1730 0.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 0.1310 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 0.6990 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -0.9650 2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 0.6420 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 -0.4090 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 0.7270 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 -1.0030 -3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -2.2800 -2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 -2.6820 -4.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -0.3700 -6.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -1.4000 -8.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 -0.7430 -8.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 0.2590 -7.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 1.6380 -8.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 0.6560 -9.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 1.3790 -10.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 2.3680 -8.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -3.5340 -8.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -6.4550 -8.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 -7.4380 -8.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 -6.4410 -7.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 -7.0960 -10.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 -5.8300 -14.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -4.6200 -13.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -5.7100 -13.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 3.0440 -10.3190 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3650 3.6610 -10.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 2.7000 -11.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 3.6300 -9.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -8.4690 -14.0230 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1210 -1.6690 0.1490 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9930 -2.3970 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -1.3080 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -2.1500 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 69 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 64 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 2 0 0 0 0 32 68 1 0 0 0 0 34 35 1 0 0 0 0 34 38 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 64 67 1 0 0 0 0 69 70 1 0 0 0 0 69 71 1 0 0 0 0 69 72 1 0 0 0 0 M CHG 1 64 1 M CHG 1 68 -1 M CHG 1 69 1 M END