./aib37(optimized).pdb OpenBabel12302119053D 137138 0 0 1 0 0 0 0 0999 V2000 7.3160 8.3570 10.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1600 6.9050 10.5980 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9340 9.1730 9.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 6.5580 10.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7790 6.2740 11.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 5.6860 9.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 7.3180 11.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2900 6.5630 11.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5740 4.7470 11.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 7.2330 11.4150 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8630 7.5480 10.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9850 8.2120 12.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 7.0160 9.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 8.4920 9.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 9.0230 8.1200 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3190 7.9450 7.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 10.2720 7.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 7.6510 6.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 7.3220 7.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 11.5280 8.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 11.9570 8.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 12.6850 7.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9450 6.2280 6.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 5.1960 6.2220 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3330 6.8770 4.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2730 5.6100 6.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 4.7400 5.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 4.8150 7.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 3.8280 7.6670 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0490 4.3890 7.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 3.5150 9.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 3.7410 6.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 5.7040 7.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 2.7950 9.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 2.6340 9.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 6.5500 7.1540 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2960 6.7160 5.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 7.9150 7.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 6.9740 5.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 6.5490 5.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 6.6440 3.6130 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9330 5.4850 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 8.0000 3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 5.0550 2.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 9.2330 3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 9.2610 2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 10.5170 3.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9730 10.5370 9.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7360 8.7280 8.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3740 11.3770 10.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 12.8260 10.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8760 11.1970 11.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 11.1970 12.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 4.9580 4.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 3.8220 4.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 2.5110 3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 4.0070 2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 3.5300 5.3960 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0180 2.4800 5.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5840 1.9360 6.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 4.1010 6.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6310 8.7590 11.4790 H 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137 0 137 0 $$$$