PUBCHEM-ZINC05976180 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -0.0110 1.1840 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 1.5200 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 1.7180 -2.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 1.6640 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 1.4530 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 1.8840 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 1.9210 0.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 2.2510 -1.7700 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 2.1140 -2.3470 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6860 3.1230 -2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 1.1730 -3.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -0.1830 -3.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -1.0370 -4.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 -0.5480 -5.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 0.7940 -5.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 1.6570 -4.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 1.2320 -7.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4810 2.7630 -2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6510 4.2770 -2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0080 6.2610 -3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3350 6.5630 -3.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3060 5.6360 -3.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1740 5.9210 -3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 0.9960 1.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 0.1190 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 1.4020 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 1.7770 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 -0.5940 -2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -2.0860 -4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -1.2100 -6.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 2.7020 -4.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 2.1870 -7.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3770 2.4970 -3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3790 2.2610 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8530 4.5420 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 4.8100 -2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 6.7510 -3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0560 6.5300 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6620 7.5840 -3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2520 6.4310 -4.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.4070 -3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7980 4.7730 -3.1620 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.7040 4.3780 -2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7120 4.4800 -4.1440 H 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 4 2 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 24 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 M CHG 1 42 1 M END