./aib25.pdb OpenBabel11132113493D 63 62 0 0 1 0 0 0 0 0999 V2000 2.0370 1.1140 1.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 1.2960 1.1940 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8020 2.2790 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 3.0200 2.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 1.8160 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 2.2600 2.6030 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 3.0950 3.6210 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6250 2.4200 4.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1910 1.3760 5.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 4.4250 3.6770 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1400 5.1000 2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 5.2820 4.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 6.4290 2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 3.0910 5.7910 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 2.7020 7.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 1.2880 7.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2490 0.4270 8.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 2.8050 8.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 1.0740 6.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 3.6140 7.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 0.1380 1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 0.2600 1.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -0.7100 1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -0.6250 3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -2.0710 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -0.4090 1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -0.7480 2.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 -0.2290 6.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 1.8480 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 0.3410 1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 1.9520 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 1.1020 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 2.7720 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 1.6690 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 3.2420 3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9870 4.2780 3.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6690 4.4760 1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1910 5.2470 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7360 5.4290 4.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 6.2480 4.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 4.7910 5.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 6.9190 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 6.2820 2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9210 7.0520 3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 3.9520 5.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 2.5140 9.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5260 2.1420 7.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 3.8320 7.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 3.3230 8.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 4.6410 7.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 3.5390 7.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 0.3580 3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -1.3690 4.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -0.7910 3.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -2.1120 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -2.2600 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -2.8900 1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -0.4230 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -1.1410 1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 0.5770 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -0.4190 5.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -0.9090 6.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 -0.3900 7.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 30 1 1 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 35 1 6 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 1 0 0 0 11 13 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 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 19 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 28 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 27 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 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 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 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) > aibb38 > <MODEL> 1 $$$$