PUBCHEM-ZINC05731802 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 -4.7360 1.4420 -1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6970 -0.0880 -1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 -0.5710 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 -2.0780 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 -2.7030 -1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -2.7300 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -4.1270 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -4.8440 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -6.2060 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -6.8950 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -6.1760 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8170 -4.7910 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8520 -7.1180 0.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8040 -6.9410 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -8.3410 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -8.2110 0.3380 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0110 -9.3160 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -9.6540 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3100 -10.1260 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 -12.0070 -2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8380 -13.3630 -2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1150 -13.1840 -1.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0480 -12.6010 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3590 -11.2370 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 1.7860 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 1.7980 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 1.8300 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 -0.4760 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 -0.4440 -2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -0.1830 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 -0.2150 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -2.2320 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -4.3160 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -6.7520 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -4.2330 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -9.5280 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -10.2030 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -9.0400 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3800 -10.3970 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9300 -9.5240 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9290 -9.3820 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 -10.2550 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1390 -12.1460 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7150 -11.3500 -2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9710 -13.7870 -3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 -14.0370 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0560 -12.4730 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4770 -13.2530 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9570 -10.5680 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2540 -10.8140 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0290 -11.4050 -1.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 M CHG 1 16 1 M END