PUBCHEM-ZINC06792417 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 1.7950 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 2.2560 -2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 2.4880 -3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 2.2560 -3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 1.8230 -2.3220 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6970 2.9880 -4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 3.1460 -5.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 3.6650 -7.2020 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 4.9640 -7.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 2.4980 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9690 4.1540 -1.8350 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.5010 3.2600 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4410 4.5490 -3.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2500 5.2820 -0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 6.0360 -0.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6360 5.4670 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6490 6.6730 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0570 6.8610 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0690 8.0670 2.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4770 8.2560 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4900 9.4440 3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4770 10.0750 3.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 1.5530 -0.0090 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 2.4340 -4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 2.2690 -5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 3.9480 -4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 2.3300 -3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 1.8120 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5120 4.7500 -3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9090 5.4430 -3.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2390 3.7340 -3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3380 5.6360 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9280 4.5730 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9470 6.5040 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3570 7.5670 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7590 7.0300 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3480 5.9670 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3670 7.8990 2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7780 8.9620 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1790 8.4240 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7690 7.3620 3.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 1.6720 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 3.8450 -8.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 2.5900 -7.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5260 3.8820 -1.8630 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 4.0820 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6260 9.8000 4.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5850 10.5690 4.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 1.7130 -8.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 4.1560 -8.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 25 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 29 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 50 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 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 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 48 55 1 0 0 0 0 49 54 1 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 7 1 M CHG 1 25 -1 M END