PUBCHEM-ZINC05454157 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 0 0 0 0 0999 V2000 -0.3430 0.4970 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -1.0040 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -1.7460 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -1.5090 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -2.9810 -0.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3520 -3.6250 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1950 -3.4370 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -4.7530 -0.6380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -5.3320 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 -5.1520 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 -2.7490 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -3.2090 -1.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -4.4250 -1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -5.4460 -0.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -4.5290 -2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -5.8530 -3.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -6.1450 -4.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 -5.1190 -4.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8070 -4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -3.4840 -3.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -2.0260 -3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -1.6080 -2.7470 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6500 0.8840 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 1.0520 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 0.7120 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -1.1480 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -1.6960 2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -2.8000 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -1.3110 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 -1.3590 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -0.8810 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -2.3890 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -6.6850 -2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -7.1730 -4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -5.3310 -5.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -3.0070 -5.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -1.3250 -3.2020 O 0 0 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 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 37 2 0 0 0 0 M CHG 1 22 -1 M END