./aib21.pdb OpenBabel11132113493D 125125 0 0 1 0 0 0 0 0999 V2000 0.7610 2.9770 13.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 2.3460 12.2240 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3430 3.3810 11.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 3.2710 11.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 1.7140 11.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 0.6790 11.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 1.0660 10.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 4.4640 11.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 5.6480 10.5270 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1730 6.3130 11.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 6.7790 10.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 6.6040 10.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 6.3440 12.6620 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 6.9200 13.7460 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8170 6.0660 13.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 6.4860 14.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 6.9830 14.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 7.8380 14.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 9.2220 14.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 7.9010 15.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5310 4.7660 13.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 3.6750 14.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6430 3.8560 13.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8260 3.7990 13.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 3.6790 15.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2420 4.0940 11.9180 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1210 4.3150 10.7730 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6730 5.7090 10.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6790 6.0970 10.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3420 4.1370 9.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 2.7440 9.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2460 4.3650 8.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9340 6.5040 11.6040 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 7.9150 11.8680 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3480 8.0370 12.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1010 9.0030 12.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 8.5480 12.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 6.9560 13.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4830 6.7590 14.6280 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5620 5.3030 14.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7420 4.6440 15.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1150 7.5500 15.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1580 7.3470 16.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8030 6.8030 18.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4780 7.7050 16.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7690 6.6150 19.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4440 7.5170 17.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0890 6.9720 18.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7150 4.7830 14.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 2.3670 13.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 3.5640 14.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 4.0500 15.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 4.6810 16.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 5.8660 15.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 3.6530 17.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 5.1580 17.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 3.6560 14.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7690 3.4450 14.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 2.8960 13.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 1.5810 12.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 2.4790 10.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -0.0860 12.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 1.1500 12.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 0.2200 11.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 0.3010 10.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 0.6070 9.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 1.8180 9.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 4.5950 11.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 5.3560 9.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 7.4890 9.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 6.1210 9.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 6.8970 11.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 5.9730 13.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 7.9260 13.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 7.4140 15.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 5.9780 15.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 7.4080 13.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 9.6510 15.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 9.1760 13.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 9.8430 14.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 8.3310 16.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 8.5220 15.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 6.8950 16.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 4.3780 13.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6850 2.8640 15.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4650 4.6300 15.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 3.5470 16.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2810 4.1490 11.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9410 3.5980 10.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5220 4.8550 9.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 2.0260 9.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 2.5790 10.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 2.6150 8.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0660 3.6470 8.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 4.2340 7.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 5.3770 8.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 6.2260 12.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4490 8.4190 10.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 9.6010 12.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1440 8.4590 11.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 8.0440 13.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8740 6.1410 13.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4510 7.0950 14.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1480 7.2140 16.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0590 8.6080 15.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 6.5240 18.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7540 8.1290 15.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4920 6.1910 20.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4710 7.7960 17.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8410 6.8260 19.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5170 1.5520 13.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 2.2360 14.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 2.3640 12.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 6.5690 15.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 6.4140 16.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 5.5290 15.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 2.7910 17.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 3.2810 16.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 4.0850 18.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 4.3200 17.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 5.6690 18.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 5.8490 16.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6900 3.0110 14.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7470 3.3400 15.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9130 2.9280 14.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 1 59 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 60 1 1 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 61 1 0 0 0 0 6 62 1 0 0 0 0 6 63 1 0 0 0 0 6 64 1 0 0 0 0 7 65 1 0 0 0 0 7 66 1 0 0 0 0 7 67 1 0 0 0 0 8 9 1 0 0 0 0 8 68 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 69 1 6 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 12 70 1 0 0 0 0 12 71 1 0 0 0 0 12 72 1 0 0 0 0 13 14 1 0 0 0 0 13 73 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 74 1 6 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 75 1 0 0 0 0 17 76 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 77 1 0 0 0 0 19 78 1 0 0 0 0 19 79 1 0 0 0 0 19 80 1 0 0 0 0 20 81 1 0 0 0 0 20 82 1 0 0 0 0 20 83 1 0 0 0 0 21 22 1 0 0 0 0 21 84 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 25 85 1 0 0 0 0 25 86 1 0 0 0 0 25 87 1 0 0 0 0 26 27 1 0 0 0 0 26 88 1 0 0 0 0 27 28 1 0 0 0 0 27 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0 0 58123 1 0 0 0 0 58124 1 0 0 0 0 58125 1 0 0 0 0 M END > 4 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 888 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) > aibb29 > <MODEL> 1 $$$$