./aib46.pdb OpenBabel11132113493D 181183 0 0 1 0 0 0 0 0999 V2000 10.8660 -2.1960 1.8740 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4600 -2.2620 1.4860 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6190 -2.5340 2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7120 -3.5240 3.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2690 -3.3650 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1100 -3.0930 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4540 -1.8400 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7000 -4.0560 -1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2280 -1.9830 -2.3170 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 -3.3190 -2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7140 -5.4580 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1060 -3.9470 -3.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4140 -6.0850 -2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0930 -5.3430 -3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7350 -1.5600 2.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7700 -1.5210 4.0120 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3790 -1.4720 3.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 -0.5910 2.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0150 -0.3010 4.8500 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4060 -0.3500 5.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 -0.2600 5.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5610 -1.5770 6.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -2.5170 3.8460 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 -2.7670 3.4780 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4150 -2.8160 4.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -3.6090 5.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -4.0770 2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -1.8820 4.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -1.6630 5.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -0.6840 6.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 0.4690 6.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -1.1170 5.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -1.2140 7.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -0.5250 9.1720 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0890 -0.5250 9.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 -1.5280 9.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -1.2330 10.3970 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4110 -1.2330 10.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -0.5250 11.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 0.1820 10.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 0.7120 9.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 1.0570 9.1720 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5480 0.9370 10.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 1.5710 11.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 2.4670 8.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6330 2.8210 8.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 3.4010 9.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5350 0.0440 10.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -0.3080 11.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 0.5900 11.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9800 0.9350 13.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3860 -0.1400 13.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9290 0.9850 10.7910 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0760 1.8620 10.5750 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6630 3.2880 10.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5400 3.7380 10.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5790 1.6910 9.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7580 2.5910 8.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2600 2.4200 7.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8470 2.2370 9.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6730 4.0350 11.2350 N 0 0 0 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