./aib56.pdb OpenBabel11132113493D 96 96 0 0 1 0 0 0 0 0999 V2000 -0.3120 5.9190 3.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 5.8510 4.1280 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2350 4.4180 4.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 3.8020 5.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 6.6080 5.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 8.0410 5.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 8.6480 4.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 8.7970 6.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 3.8690 3.4950 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 2.4930 3.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 2.4930 3.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 1.6120 2.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 1.7850 4.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6390 4.6020 4.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 3.5730 4.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9300 3.8390 4.2700 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5150 2.9020 5.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6710 2.4900 5.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 5.2780 4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 5.4300 5.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6220 2.5530 6.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 1.7850 2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8730 1.6560 7.3350 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9500 0.4770 7.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 2.3870 8.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8880 1.4650 9.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 2.8610 8.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 0.5330 7.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 -0.6720 7.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0200 -1.9990 7.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1630 -2.0680 5.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 -3.0330 6.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 -4.1910 7.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2220 -2.9010 6.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 -2.2590 8.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 6.4370 2.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 6.3410 1.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 6.8540 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 8.2670 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 6.8900 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 5.9180 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 6.9330 1.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6740 -5.1290 7.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 5.5090 3.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 6.2930 3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 6.5570 5.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 6.1660 5.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 8.0920 4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 8.5980 4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 8.0990 3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 9.6900 4.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 8.7470 6.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 9.8390 6.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 8.3560 6.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 4.3380 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 0.7580 4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 2.2990 5.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 1.7850 4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 4.1870 5.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 5.2090 3.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4810 3.7220 3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9830 5.9700 3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 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40 89 1 0 0 0 0 40 90 1 0 0 0 0 41 91 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 43 94 1 0 0 0 0 43 95 1 0 0 0 0 43 96 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) > aibb77 > <MODEL> 1 $$$$