./aib8.pdb OpenBabel11132113493D 169168 0 0 1 0 0 0 0 0999 V2000 0.9750 -5.5360 0.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -4.5280 1.3900 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4820 -5.2070 2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -4.9490 3.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -3.6730 1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -2.6370 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -1.7810 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -1.7800 2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -6.1490 2.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -6.9910 3.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -7.7120 4.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -7.8480 5.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -6.1360 4.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -8.2020 3.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -8.9530 3.6890 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2740 -8.0400 4.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0050 -8.3290 5.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -9.5230 2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -10.4370 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 -10.2950 2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 -6.8480 3.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -5.7370 4.0760 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9380 -5.3620 5.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8120 -5.0740 6.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -4.5590 3.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -5.3750 5.8170 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -5.0580 7.1250 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4620 -6.1240 8.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 -5.9260 9.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -4.9900 7.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -4.6650 8.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -4.5980 8.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -3.3400 8.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -7.3420 7.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 -8.5920 8.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 -8.4960 8.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 -8.7880 10.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -8.8380 9.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 -8.0460 8.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3910 -7.8390 8.2940 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5450 -6.7020 9.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3310 -6.6730 10.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1140 -7.5140 7.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9600 -8.6510 6.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5700 -7.3010 7.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 -5.6980 8.9790 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 -4.4470 9.7260 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2570 -4.7430 11.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7560 -4.2020 12.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -3.5830 9.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 -5.6810 11.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 -6.1950 12.4870 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7960 -6.9570 13.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9660 -6.9170 14.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -7.1050 12.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -6.3430 11.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -5.1970 12.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -7.2530 11.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 -7.7010 12.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -8.5600 12.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1700 -9.5290 13.8800 C 0 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888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) > aibb12 > <MODEL> 1 $$$$