PUBCHEM-ZINC05638455 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.9260 1.5230 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 0.2890 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -0.4020 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -0.0400 2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -0.5590 3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -0.2030 4.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 0.6710 5.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 1.1910 4.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 0.8380 3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -0.2360 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 0.3270 -2.3030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -0.2830 -3.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 0.2370 -4.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.4050 -5.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 0.0870 -7.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 1.2350 -7.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 1.8770 -5.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 1.3840 -4.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 1.7660 -8.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 1.1270 -9.5600 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4550 2.3530 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 1.3440 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 1.8510 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -1.2920 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -1.2380 2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -0.6070 5.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 0.9480 6.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 1.8740 4.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 1.2520 2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.1460 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -1.1180 -3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -1.2980 -5.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -0.4300 -8.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 2.7710 -6.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 1.9050 -3.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 2.8110 -8.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 2 0 0 0 0 M CHG 1 20 -1 M END