PUBCHEM-ZINC06545595 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 0.1310 0.9340 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 1.5280 -2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 1.7080 -1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 2.2850 -2.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 2.6840 -4.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 2.4610 -4.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 1.9040 -3.4520 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4270 3.3150 -5.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 4.5260 -5.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 4.6010 -7.1770 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 4.4000 -7.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 2.5520 -2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 4.5270 -1.6140 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.7560 3.8380 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8190 5.7730 -2.5110 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0740 6.7030 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6470 5.6640 -3.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 5.8570 -2.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 6.4430 -3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 4.9610 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 4.5120 0.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 1.3880 -0.6870 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1590 -0.0790 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 0.8650 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 1.5560 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 2.7260 -5.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 2.6000 -6.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 3.5770 -4.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 2.6360 -3.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9780 1.7460 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7160 5.6130 -3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4720 6.5310 -4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3700 4.7790 -4.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.7730 -3.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 5.9790 -7.2960 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3220 3.4480 -7.2810 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6520 3.8010 -1.6620 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3560 3.6400 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 4.5220 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4160 5.6630 -0.0870 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 13 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M CHG 1 7 1 M CHG 1 22 -1 M CHG 1 35 -1 M CHG 1 36 -1 M CHG 1 37 1 M CHG 1 40 -1 M END