./aib55.pdb OpenBabel11132113493D 58 58 0 0 1 0 0 0 0 0999 V2000 1.7060 -0.2940 2.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 -1.0800 3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -0.2160 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 -0.5850 3.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 -1.5980 4.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 1.0300 3.8200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 2.1160 4.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2800 2.5010 2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3240 3.1320 2.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 3.3000 4.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4140 1.0130 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8740 2.2840 0.2750 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5520 2.0740 1.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 2.6880 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 2.7360 0.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 2.9450 -1.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 -2.2340 2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7410 1.6620 4.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 3.1080 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 0.3410 1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 0.9770 1.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 0.3530 0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 1.6690 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 2.3190 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 1.5390 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 2.1410 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 3.5230 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 4.3020 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 3.7000 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -0.3110 3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 -2.1850 5.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -0.7600 5.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -2.2270 4.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 1.3760 3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 4.1100 4.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 3.6300 3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 3.0200 5.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 1.1690 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3150 0.7190 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 0.2250 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 3.0710 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 1.5530 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -2.8210 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 -2.8630 2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -1.8580 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4530 2.4720 5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2950 1.3820 5.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 0.8010 4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 3.1520 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 4.0900 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 2.3780 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 0.9780 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 2.4340 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 0.4640 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 1.5340 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 3.9910 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 5.3780 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 4.3070 -0.0320 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 30 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 17 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 6 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 19 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 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 29 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 2 0 0 0 0 28 57 1 0 0 0 0 29 58 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) > aibb76 > <MODEL> 1 $$$$