PUBCHEM-ZINC06175447 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 0.6870 1.6910 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 0.3600 0.3680 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0570 0.5560 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -1.6150 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -2.2250 2.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -3.4420 3.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -3.9830 4.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -5.1250 5.5360 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9460 -4.8920 5.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -5.4290 6.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -6.4450 6.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -4.5000 7.8440 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -4.4880 9.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -5.3650 9.6270 N 0 5 0 0 0 0 0 0 0 0 0 0 1.3530 -3.7830 11.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -3.5060 9.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 1.5510 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 2.3220 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 2.2450 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -2.3610 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -1.3330 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -2.5260 2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -1.4670 3.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -3.1550 3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -4.2190 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -4.3110 4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -3.1540 5.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -3.7090 7.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -0.3070 -0.9350 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8020 -0.4810 -1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.2680 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -1.2030 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -0.4410 1.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -0.6470 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -4.9020 10.8920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -6.3640 4.6880 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0980 -6.7270 4.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -6.2410 3.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -7.1140 5.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 33 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 35 2 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 33 34 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M CHG 1 14 -1 M CHG 1 29 1 M CHG 1 36 1 M END