./aib20.pdb OpenBabel11132113493D 60 59 0 0 1 0 0 0 0 0999 V2000 2.8940 -0.6240 0.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 0.5430 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 1.5220 1.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 1.6560 2.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 2.2520 2.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 3.2910 3.3350 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0560 2.6530 4.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 3.1650 5.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 4.1400 3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 4.7770 2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 6.1010 2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 4.9850 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 1.4380 4.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 0.5550 5.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 1.3390 7.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 2.1670 7.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -0.5500 5.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 0.9950 8.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -0.0310 6.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 -1.4300 1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -2.4180 1.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 -3.3100 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -3.9740 2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0850 -2.5110 3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3310 -4.3440 1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -1.3010 2.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 1.7250 9.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 -0.7200 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 0.2320 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 1.0140 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 2.1750 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 3.9130 3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 4.9150 4.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 3.5170 3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 4.1280 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 6.7500 2.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 5.9490 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 6.5640 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 5.6350 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 5.4480 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 4.0230 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 0.9800 4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -1.2090 6.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -0.1240 5.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -1.1190 4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 -0.6910 6.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -0.6010 5.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 0.7710 6.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -4.4990 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 -4.6960 3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -3.2330 3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9730 -2.0030 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -1.7470 3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3990 -3.1580 4.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2230 -3.8640 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6570 -5.0860 2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 -4.8750 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 1.4600 10.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 2.7890 9.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 1.5020 9.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 32 1 6 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 27 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 26 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 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) > aibb27 > <MODEL> 1 $$$$