PUBCHEM-ZINC03873184 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 72 0 0 1 0 0 0 0 0999 V2000 1.4010 -0.4540 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -1.6670 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 -1.7120 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 -0.4980 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 0.7350 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 0.7510 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 1.7400 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 1.0870 -1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1830 -0.2490 -1.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 -0.9540 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 3.2190 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 3.5830 0.9470 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9530 3.5230 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 5.0210 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3740 5.2800 2.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 5.9770 0.5620 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 7.4320 0.7110 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0240 7.6270 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 7.9090 1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 9.2940 2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 9.7290 3.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3950 11.1230 4.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 8.1710 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 7.4500 -1.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 2.6640 1.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 1.9360 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 2.1290 3.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 0.7050 3.3170 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7990 0.6010 2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 0.6790 4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9830 1.7200 5.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2220 1.5710 6.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2490 2.5770 7.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -0.4400 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.5920 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -2.6570 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 1.6880 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4100 1.4680 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 3.6840 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 3.6540 -1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 5.7580 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 7.9130 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 7.1980 2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 9.2790 2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 10.0390 1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 9.7150 3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 9.0150 4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 11.1540 4.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 11.8670 3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 2.5950 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 0.8500 5.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 -0.3170 5.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9360 1.6000 4.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6170 2.7300 5.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 1.7050 7.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5690 0.5530 7.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2150 2.4640 6.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8980 3.6080 7.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 11.5370 5.3190 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8940 12.4690 5.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 10.8820 6.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 11.5840 5.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 9.3570 -0.7020 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4910 2.3530 8.8240 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1850 3.0180 9.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 1.4100 9.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 2.4700 9.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 -0.5070 2.9080 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4010 -1.3920 3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 -0.5880 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 -0.4000 3.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 59 1 0 0 0 0 23 24 2 0 0 0 0 23 63 1 0 0 0 0 25 26 1 0 0 0 0 25 50 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 30 1 0 0 0 0 28 68 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 64 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 59 62 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 68 69 1 0 0 0 0 68 70 1 0 0 0 0 68 71 1 0 0 0 0 M CHG 1 59 1 M CHG 1 63 -1 M CHG 1 64 1 M CHG 1 68 1 M END