PUBCHEM-ZINC03759998 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.0840 1.4640 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.0580 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.5230 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -0.5560 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -0.1690 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -0.6350 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 -1.5070 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -1.9190 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -1.4340 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -2.8010 -1.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 -2.8970 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 -2.1170 -0.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0750 -2.0110 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 -3.6560 -1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1810 -5.0180 -2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2850 -5.7440 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5250 -5.1200 -2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6650 -3.7630 -2.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5490 -3.0390 -2.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8210 -3.0350 -2.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9840 -3.7290 -3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -3.4370 -3.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -4.5390 -2.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -4.2070 -2.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.7960 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 1.7970 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 1.9790 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -0.4860 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -1.6140 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -0.2270 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -0.0920 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 0.5070 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 -0.3280 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -1.7620 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -5.5280 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1740 -6.8010 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3560 -5.7220 -3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6660 -1.9780 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8550 -4.1180 -4.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2520 -4.5280 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8120 -3.0140 -3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -3.8590 -3.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 -2.6690 -3.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 -5.6650 -2.5060 O 0 5 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 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 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 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 M CHG 1 44 -1 M END