./aib34.pdb OpenBabel11132113493D 124123 0 0 1 0 0 0 0 0999 V2000 5.6840 2.0460 11.7620 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 0.8070 12.4270 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9750 0.3410 11.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -0.8240 11.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 1.0510 13.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -0.2220 14.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 2.1010 14.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 1.3550 11.6940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 1.2400 11.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 0.6040 9.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -0.2400 9.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 0.3940 12.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 1.0640 9.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 0.6480 7.7150 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8450 -0.6700 7.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -1.5940 6.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 1.6780 7.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 2.9970 7.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 2.8590 6.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 4.0260 6.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 -0.7340 8.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 -1.8770 9.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -3.1130 9.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 -4.2340 8.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 -2.0620 7.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -2.8570 9.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -3.8400 10.0210 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6930 -4.0410 8.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -4.8650 8.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -3.3460 11.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -3.2060 7.8070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -3.1450 6.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7290 6.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -3.1010 5.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -2.1490 5.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -1.8890 7.6150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -1.3000 8.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4160 0.1790 7.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 1.0600 8.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -1.5610 9.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -3.0400 9.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -3.6540 8.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -3.3000 11.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 0.4290 6.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 2.6060 11.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2990 -1.6320 10.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -4.4980 5.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 2.2200 10.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1700 3.4890 10.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 3.7710 8.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 3.5420 8.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3610 2.8140 8.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7420 5.2390 8.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5510 1.3540 9.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 1.7930 6.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8710 2.7490 12.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 0.0440 12.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1150 1.3900 14.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 -0.5610 14.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5130 -0.9850 14.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 -0.0440 15.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 1.7620 13.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 2.2790 15.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 3.0260 13.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 2.3260 11.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 0.3090 11.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -0.5980 12.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 0.8570 13.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 1.7550 9.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 0.5480 7.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 1.3690 6.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9330 1.7790 7.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 3.3070 8.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 2.5490 5.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 2.1110 6.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 3.8170 6.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 3.7160 5.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 4.9850 6.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 4.1260 6.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 0.0000 9.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2190 -2.9160 8.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0570 -2.2400 7.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 -1.1640 7.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -1.9510 10.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -4.7860 10.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -4.0800 11.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -3.1990 12.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -2.4000 10.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -2.5140 7.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -2.1040 4.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 -1.1660 6.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -2.4520 5.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -1.5580 8.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -1.7470 7.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -1.1210 9.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -1.1140 10.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -3.4800 9.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 -3.2140 9.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -3.4650 7.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -4.7300 9.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 -2.8610 11.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -4.3750 11.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -2.8530 11.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 2.5210 10.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 3.0680 12.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 3.2210 10.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9380 -2.4850 10.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9100 -0.7330 10.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 -1.4970 11.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -4.4530 4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -4.8010 5.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -5.2230 6.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 4.1880 8.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 3.7470 7.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 2.5120 8.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 2.9460 8.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0650 1.7720 8.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5160 2.9810 7.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6940 5.4090 9.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 5.5330 7.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 5.9110 9.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 2.0130 5.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 2.1620 6.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 2.2830 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V. 3.0, 1-DEC-2006 888 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) > aibb48 > <MODEL> 1 $$$$