./aib54.pdb OpenBabel11132113493D 71 70 0 0 0 0 0 0 0 0999 V2000 -2.2500 1.1380 3.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 2.4140 3.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 2.8300 2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 3.8620 2.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 3.4560 3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 1.9340 2.6780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 2.0380 1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 3.2550 2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 3.8680 1.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 0.8140 2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 3.6090 3.5750 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 4.7450 4.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 5.9780 3.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 6.8590 3.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 4.9500 5.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 6.0170 2.7830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 7.0810 1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 7.2870 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 8.3680 0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 6.6960 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 6.1390 0.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 5.9950 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8850 6.7130 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7950 7.1580 -0.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 4.5400 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 6.8130 1.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 2.2680 5.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 2.1490 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 4.4760 4.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 8.3530 2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 6.5830 -1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 7.4760 1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 0.4350 3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 0.8580 3.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 4.4090 3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 3.5620 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 3.1540 4.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 1.0730 3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 0.8910 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 0.7330 3.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -0.0700 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 3.1340 4.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 5.8000 6.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 5.1470 5.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 4.0540 6.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 5.3160 2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 7.4910 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 5.7730 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 6.5470 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 5.2290 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 4.4320 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 4.1130 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 4.0180 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 3.2210 5.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 1.9660 5.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 1.5110 5.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 2.2270 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 1.2640 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 3.0380 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5480 5.3250 5.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 3.5800 5.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 4.3280 3.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 9.1460 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 8.2030 3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 8.6320 3.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 6.4750 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 6.0610 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 7.6390 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 7.5650 2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8810 6.9160 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 8.4700 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 31 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 32 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 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) > aibb75 > <MODEL> 1 $$$$