./aib6.pdb OpenBabel11132113493D 103104 0 0 1 0 0 0 0 0999 V2000 1.8390 -4.2660 5.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -4.1480 3.9830 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2140 -2.7050 3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -2.2040 2.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -4.9280 3.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.0050 4.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -0.5780 4.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 0.1810 4.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 1.1690 3.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -0.3360 3.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 -0.3470 4.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 0.1530 3.8920 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3150 -0.2610 2.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 0.1980 1.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2110 -0.4150 4.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5340 0.0990 4.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6340 -0.4700 5.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5540 1.5950 4.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 -1.2070 2.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 -1.8240 0.7740 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0070 -1.6430 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -2.1200 -0.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 -3.2880 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 -3.4690 1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 -2.9990 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4270 -4.1450 2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 -3.3520 1.6820 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 -4.0540 2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7090 -4.8180 3.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5470 -4.6120 3.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 -5.3750 4.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7930 -5.2720 4.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -0.8890 0.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -0.5240 0.7310 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1910 0.7890 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 1.2470 -0.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -0.4040 2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -1.7180 2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 -0.0290 1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 1.4400 0.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -0.1130 6.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -3.6820 5.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 -3.9980 7.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -3.4380 7.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 -1.9100 7.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 -3.9380 7.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -3.9050 9.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 -2.9590 5.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 2.6440 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -4.8620 5.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -4.5430 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -4.8400 2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -5.9770 3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -4.5330 4.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -2.3770 5.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 0.7290 3.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -0.6730 2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -0.8880 4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -1.1570 4.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 1.2410 3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 -1.5030 4.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0630 -0.1140 5.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6820 -0.2020 3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4860 -0.1690 6.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6190 -1.5580 5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5950 -0.0960 4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4060 1.8960 5.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5150 1.9690 3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 2.0090 3.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -1.6120 2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 -1.3520 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -3.7490 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -3.7600 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3950 -2.4390 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2540 -3.1110 1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -4.9050 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6230 -4.5390 3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 -5.8960 5.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2970 -5.7170 5.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -0.4780 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -1.2930 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 0.3650 2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -2.4860 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -1.9900 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -1.6300 3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -0.7980 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 0.0580 2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 0.9250 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 0.9510 6.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -0.6650 6.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -0.2890 6.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 -1.5630 8.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 -1.3980 8.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 -1.5860 6.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3910 -5.0260 7.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3550 -3.6470 6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2110 -3.5330 7.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 -4.9920 9.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 -3.4970 9.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 -3.5890 9.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 3.1790 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 2.4600 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 3.2430 -0.0870 H 0 0 0 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