./aib43.pdb OpenBabel11132113493D 150149 0 0 1 0 0 0 0 0999 V2000 0.8540 4.0420 11.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 2.9050 12.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 1.8970 11.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 1.1880 12.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 3.3760 13.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 1.8500 10.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 0.9770 9.2190 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8200 1.2370 9.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 0.3820 9.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 1.2510 7.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 0.9910 7.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 0.3540 6.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 2.5310 9.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4310 3.1150 9.4530 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1540 2.5950 10.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3510 2.3280 10.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 4.6080 9.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 2.4490 11.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 1.9650 13.0240 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9940 0.4920 12.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 -0.0870 13.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6140 2.2270 13.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 3.7010 14.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5830 4.4160 14.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 3.9630 15.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 -0.1410 12.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 -1.5750 11.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4560 -2.0170 11.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0370 -3.0230 11.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -2.3150 13.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9870 -1.1790 10.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3010 -1.3220 9.9680 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3680 -1.0290 10.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4070 -1.6670 11.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4200 -0.3610 8.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3520 -0.6540 7.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7690 -0.5090 8.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0580 0.0250 11.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7980 1.3740 11.2420 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0000 1.8760 10.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9710 2.6340 9.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5110 2.2840 12.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1340 1.3990 11.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4780 1.6940 10.5190 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8550 0.6970 9.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8590 0.7550 8.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4540 1.6150 11.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8340 1.9200 11.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8100 1.8400 12.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8580 3.3000 10.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9610 -0.2890 9.3700 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0340 -1.4140 8.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2010 -0.8990 7.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9080 -1.3670 6.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2060 -2.2790 8.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4310 0.2050 6.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 2.2750 12.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 -1.8670 10.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7720 -2.2190 8.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 4.7800 10.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 5.7570 9.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 6.5810 9.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 5.6980 8.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 7.2600 10.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 7.6140 8.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 4.6040 10.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5970 0.6640 5.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 4.1770 11.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 2.5270 14.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 3.8340 13.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 4.1090 13.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 2.4140 9.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -0.0640 9.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 2.2920 7.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -0.0490 8.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 1.6440 8.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 1.1910 6.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -0.6870 7.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 0.5530 5.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 0.5430 6.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 3.2670 9.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9830 2.8430 8.5540 H 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 7.4710 -1.6730 7.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 -0.5470 8.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4390 0.0440 6.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8880 -1.5280 7.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8560 0.1900 7.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5450 -0.2960 8.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9650 0.0200 12.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 1.3560 10.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3160 3.2900 12.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6380 1.9190 12.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3710 2.3010 13.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2040 0.7730 11.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4950 2.6980 10.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4360 0.6120 12.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1800 2.3400 12.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1080 1.1940 10.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5360 2.5650 13.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7920 0.8370 12.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8120 2.0620 11.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5840 4.0250 11.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8600 3.5210 10.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1490 3.3570 9.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1240 -0.3750 9.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2610 -3.1200 8.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1230 -1.6950 8.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0850 -2.6540 9.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 1.4260 13.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 3.0080 13.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 1.9330 11.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 -2.9380 10.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 -1.5460 11.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 -1.3300 9.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8260 -3.0590 7.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6510 -2.5920 9.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9200 -1.5890 8.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 5.1800 7.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 6.2870 7.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 4.9360 8.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 7.8470 11.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 6.5230 10.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 7.9300 9.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 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