./aib22.pdb OpenBabel11132113493D 124123 0 0 1 0 0 0 0 0999 V2000 -0.1590 2.1270 6.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 2.1040 7.4470 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1860 2.3720 6.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 3.0260 7.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 0.7570 8.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 0.4900 8.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 1.5450 9.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -0.8570 9.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 1.8090 5.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 1.8820 4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0450 3.3050 4.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2110 3.6700 4.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 1.0320 5.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 4.1520 4.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 5.6030 4.5150 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6790 6.1630 5.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 7.1240 5.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 6.1970 4.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 5.6370 2.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 7.6870 4.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 5.4880 6.8600 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 5.7770 8.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 5.4290 8.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 5.8590 9.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4560 4.5810 7.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 4.0480 7.5930 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5930 4.7110 6.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6470 4.2950 6.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7670 2.5690 7.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 1.9050 8.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6540 2.1730 9.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 0.4260 8.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0050 5.8330 6.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 6.7130 5.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4930 5.9850 3.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 6.1190 2.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6330 7.9280 4.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4540 5.1520 3.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1540 4.2990 2.4770 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7490 4.5540 2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 5.1690 2.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2950 2.8590 2.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7010 2.6040 3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 1.9820 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 3.9870 0.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 1.3840 3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9110 7.1300 5.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 3.0880 5.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 2.8010 4.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 3.7420 3.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 3.8500 2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 5.0730 4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 3.2480 2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 4.0930 5.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 4.2310 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 1.2970 6.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 2.8710 8.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 0.7400 8.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -0.0100 7.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 0.5070 7.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 1.5280 10.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 2.5240 9.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 1.3510 10.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -0.8740 10.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -1.0520 9.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -1.6240 8.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 1.2650 5.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 1.0850 4.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 1.3930 6.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -0.0020 5.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 3.8960 4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 5.8490 3.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 5.9510 5.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 5.8820 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 4.5540 3.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 6.0680 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 7.9330 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 8.1180 3.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 8.0940 5.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 4.6930 6.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 5.1860 8.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 6.8380 8.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 4.2040 6.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2980 4.2420 8.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7820 2.1700 7.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2840 2.3740 6.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9740 2.3040 8.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6680 1.7750 9.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 3.2480 9.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0880 1.6910 10.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9540 0.0280 8.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -0.0560 8.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4580 0.2320 7.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1410 6.2110 6.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0090 8.5860 4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 7.6250 4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 8.4580 5.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 5.0120 4.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8470 4.5210 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6020 2.6380 3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3940 2.8270 2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 3.2420 4.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8040 1.5580 3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 2.2040 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0900 0.9370 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9650 2.1670 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 1.4380 2.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 0.3500 3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 2.0020 3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2850 7.7870 4.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9200 7.6590 6.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5460 6.2470 5.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 2.8920 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 4.5810 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 4.1530 3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 4.9800 4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 5.3960 4.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 5.8680 3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 3.1270 3.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 3.9480 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 2.2820 2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 3.7830 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 3.7980 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 5.3080 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 48 1 0 0 0 0 1 56 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 57 1 1 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 58 1 0 0 0 0 5 59 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 60 1 0 0 0 0 7 61 1 0 0 0 0 7 62 1 0 0 0 0 7 63 1 0 0 0 0 8 64 1 0 0 0 0 8 65 1 0 0 0 0 8 66 1 0 0 0 0 9 10 1 0 0 0 0 9 67 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 46 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 13 68 1 0 0 0 0 13 69 1 0 0 0 0 13 70 1 0 0 0 0 14 15 1 0 0 0 0 14 71 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 72 1 6 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 73 1 0 0 0 0 19 74 1 0 0 0 0 19 75 1 0 0 0 0 19 76 1 0 0 0 0 20 77 1 0 0 0 0 20 78 1 0 0 0 0 20 79 1 0 0 0 0 21 22 1 0 0 0 0 21 80 1 0 0 0 0 22 23 1 0 0 0 0 22 81 1 0 0 0 0 22 82 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 83 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 26 84 1 1 0 0 0 27 28 2 0 0 0 0 27 33 1 0 0 0 0 29 30 1 0 0 0 0 29 85 1 0 0 0 0 29 86 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 87 1 0 0 0 0 31 88 1 0 0 0 0 31 89 1 0 0 0 0 31 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<MODEL> 1 $$$$