./aib35.pdb OpenBabel11132113493D 181180 0 0 1 0 0 0 0 0999 V2000 -0.5780 4.8560 11.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 3.5530 11.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 2.6340 12.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 2.0970 13.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 3.7130 12.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 2.4570 11.9380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 1.6230 12.3580 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6450 2.2360 13.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 1.6510 14.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 1.5270 11.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 0.9140 10.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -0.4570 10.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 0.8170 8.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 3.5170 13.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 4.3970 14.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 4.2550 15.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 3.9880 16.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0450 4.0220 14.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 4.4530 15.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 4.3860 16.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 3.0150 17.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 2.7760 18.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 5.4050 17.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 2.0600 16.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 0.6240 16.6360 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9790 0.1480 16.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -0.8060 17.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.0960 15.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -1.5720 15.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -2.2920 14.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -1.8510 16.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 0.8900 16.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 0.6900 16.1010 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8800 1.0520 17.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7030 0.3820 18.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 1.5600 15.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 1.1980 13.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 -0.2400 13.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 2.0690 12.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 2.2080 17.8890 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7650 2.8400 19.1540 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4660 1.9020 20.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1390 1.7850 21.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 4.1030 19.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 4.7520 20.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 6.0150 20.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 5.0760 20.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 1.1900 20.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 0.1920 20.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 -0.8360 21.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -1.4310 22.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 0.8590 22.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 -1.0400 20.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 -1.9740 20.2480 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8420 -1.5030 21.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5810 -2.2330 21.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 -2.0420 18.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3170 -2.5120 17.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 -3.8740 18.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8960 -2.5810 16.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8920 -0.1730 21.2770 N 0 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