PUBCHEM-ZINC03870150 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.7820 0.9880 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -0.3540 -0.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -1.0110 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -2.4000 -0.5650 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1390 -2.4390 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -1.2300 -1.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -0.3700 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 0.9970 -1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 1.6990 -1.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 3.1460 -1.3740 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8430 3.3700 -2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 4.0170 -0.2080 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5470 4.7290 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 4.7550 0.2550 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2190 5.7140 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 4.8700 -1.0380 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7400 5.5650 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 3.5570 -1.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 5.2320 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 6.2750 -1.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 7.8190 -1.2620 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 7.7350 -0.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 3.9340 1.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 3.4970 1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 3.3120 0.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 2.7990 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 1.6290 -1.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -3.4710 -0.0790 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1540 -3.2390 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -3.7520 1.4460 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9860 -4.2000 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -4.9140 1.4630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8910 -5.5550 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -5.6630 0.1720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1930 -6.3150 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -4.6650 -0.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -6.4680 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -7.2630 -1.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -8.5230 -1.9180 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -9.4330 -0.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -4.3590 1.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -3.5120 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -2.7290 2.1450 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7260 1.4960 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -3.3190 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 4.3770 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 5.5690 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 1.0870 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 2.6190 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -5.8080 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -7.1110 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 8.6540 -2.5180 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7320 8.0940 -0.1510 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6290 -9.0960 -3.1440 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6850 -7.8890 -2.2060 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 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 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 36 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 43 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 41 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 37 50 1 0 0 0 0 37 51 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 54 1 0 0 0 0 39 55 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 4 1 M CHG 1 43 -1 M CHG 1 52 -1 M CHG 1 53 -1 M CHG 1 54 -1 M CHG 1 55 -1 M END