./aib32.pdb OpenBabel11132113493D 125125 0 0 1 0 0 0 0 0999 V2000 5.9980 3.8390 13.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 2.4820 12.7590 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0390 1.7530 12.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 0.8970 11.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0430 1.7610 13.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 0.3660 13.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1820 1.7050 15.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 2.1430 13.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 1.6280 13.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 1.6650 11.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 0.7520 11.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 0.2130 13.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 2.8300 11.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 3.1860 9.8000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0670 2.5370 8.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 2.0770 7.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 4.6760 9.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 5.3250 10.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 5.5720 10.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 5.6780 11.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 6.1730 11.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 6.2790 12.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 6.5270 12.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 2.5120 9.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 1.9510 8.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 0.4990 8.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 -0.3670 8.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 2.6860 7.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 0.2430 8.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 -1.0680 7.8620 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1490 -1.1760 6.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -2.0870 5.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -1.2380 8.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 -0.1500 5.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 0.0430 4.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 0.4690 3.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 0.4120 2.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 1.1050 3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 0.9280 4.9130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 1.4200 4.8610 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1790 2.9140 5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 3.6120 5.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 0.8100 5.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -0.6830 5.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -1.0610 4.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -1.2940 6.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 3.4180 4.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 2.4760 14.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6740 2.0920 9.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -1.2430 3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4560 4.7880 12.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 5.9330 13.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 6.9830 12.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 6.5320 11.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 7.2940 11.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 8.1790 13.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1410 4.6500 11.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 4.7900 4.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2600 3.9410 14.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 2.5230 11.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9680 2.2900 14.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4400 -0.1640 13.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9900 0.4070 12.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 -0.1580 14.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 1.1750 14.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7140 1.1800 15.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9480 2.7180 15.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 2.8410 13.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -0.1710 13.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 -0.4020 13.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 0.1860 14.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 3.6060 11.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 2.8410 9.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 4.9430 8.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 5.0210 9.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 5.2970 9.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 5.4850 12.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 6.3660 10.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 6.5540 13.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 6.9950 13.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 2.8790 10.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5900 2.2680 6.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 2.5840 6.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 3.7420 7.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 0.9240 8.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 -1.8450 8.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -2.2160 8.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -1.1590 9.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -0.4590 8.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 0.6180 6.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 1.2500 2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 2.0390 4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6220 0.7960 4.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 0.9930 5.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 1.1460 3.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 1.1770 5.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 1.0850 6.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -1.0510 5.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -0.6940 4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -0.6180 3.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -2.1460 4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -0.9260 6.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -2.3790 6.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -1.0190 7.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 2.0910 14.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 2.4480 15.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 3.5030 13.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5480 1.6740 9.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8470 3.1480 9.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 1.5590 10.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9450 -1.0970 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9860 -1.5510 3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 -2.0130 3.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 6.2670 12.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 7.3180 11.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 5.6550 11.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 7.5680 11.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 6.4290 10.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 8.1200 10.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 8.4670 13.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 9.0510 12.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 7.9400 14.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 5.2120 4.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 5.1960 4.0870 H 0 0 0 0 0 0 0 0 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0 0 0 0 58125 1 0 0 0 0 M END > 4 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 888 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) > aibb46 > <MODEL> 1 $$$$