PUBCHEM-ZINC03874324 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 48 0 0 1 0 0 0 0 0999 V2000 -0.0490 1.4230 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -0.0100 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -0.0320 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -0.5880 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 -2.0630 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 -2.5940 0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -3.9500 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 -4.7600 0.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6450 -4.3300 -0.3360 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3190 -3.6580 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 -4.0490 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -5.0250 -2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 -4.5560 -4.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -5.1800 -2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -5.6840 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -5.9920 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0400 -5.1590 2.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9590 -7.4870 1.4280 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6750 -7.8020 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 -8.3830 1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 -8.7600 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 -7.8670 -0.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6250 -7.6090 2.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 1.8370 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 1.4530 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 2.0780 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -0.6120 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -1.0560 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 0.4450 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 0.5020 2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -0.0060 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -0.4750 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -2.6590 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -2.2100 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -1.9560 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9710 -4.0410 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 -3.0330 -2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -6.0120 -2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 -3.5770 -4.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2850 -5.2660 -5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7320 -4.4740 -4.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -4.2080 -2.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -5.7090 -1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -5.7700 -3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 -6.5050 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -7.8860 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 -9.2990 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7720 -6.6910 3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 -9.9060 -0.0610 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 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 20 1 0 0 0 0 18 23 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 23 48 1 0 0 0 0 M CHG 1 49 -1 M END