./aib29.pdb OpenBabel11132113493D 189188 0 0 1 0 0 0 0 0999 V2000 1.8180 6.4550 3.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 5.9860 5.0820 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0340 4.6490 4.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 4.2220 5.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 5.8580 6.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 3.9550 3.9030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 2.6200 3.4520 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2980 2.5860 3.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0580 1.6950 3.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 2.2910 2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 0.9200 1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 0.5900 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -0.0850 2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 3.6570 2.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0890 3.9270 2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9570 4.0090 3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0320 3.4340 3.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5770 2.8220 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4240 4.7940 4.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0160 5.0830 5.5820 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0120 3.8390 6.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8560 3.5510 7.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 6.1520 6.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 3.0590 6.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 1.7800 6.7860 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6920 0.7650 6.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1180 -0.1440 7.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 1.3170 6.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 2.3320 6.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 2.0080 8.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 2.3070 5.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1010 0.9590 5.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0870 0.1460 4.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3200 0.0120 5.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8280 -1.0490 5.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 -1.2150 4.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8210 1.2000 5.5900 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0140 1.4170 6.4030 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7650 0.9260 7.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5640 0.2910 8.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3360 2.8820 6.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5490 1.2610 8.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9980 0.9350 9.5440 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9610 -0.5550 9.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3010 -1.1610 10.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6060 1.4840 9.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6420 2.9740 9.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5030 3.5790 10.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 3.5230 9.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5080 -1.1680 8.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3490 -2.6110 8.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6170 -3.3010 8.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6860 -4.2710 9.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2200 -3.0890 9.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6910 -2.7360 8.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0720 -3.1670 8.5190 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4510 -2.9870 9.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0050 -3.8320 10.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9810 -2.3420 7.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1120 -1.7810 10.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3420 -1.2910 11.7710 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5880 -2.1480 12.7450 C 0 0 0 0 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