My lig.pdb file is as follows:
REMARK 4 XXXX COMPLIES WITH FORMAT V. 2.0
HETATM 1 C LIG 1 28.099 20.746 115.724 1.00 0.00
o_6_ C
HETATM 2 C LIG 1 26.984 20.842 116.556 1.00 0.00
o_6_ C
HETATM 3 C LIG 1 26.240 22.020 116.605 1.00 0.00
o_6_ C
HETATM 4 C LIG 1 26.580 23.117 115.812 1.00 0.00
o_6_ C
HETATM 5 C LIG 1 27.705 23.031 114.984 1.00 0.00
o_6_ C
HETATM 6 C LIG 1 28.459 21.851 114.942 1.00 0.00
o_6_ C
HETATM 7 N LIG 1 25.838 24.320 115.794 1.00 0.00
o_6_ N
HETATM 8 C LIG 1 24.486 24.441 115.547 1.00 0.00
o_6_ C
HETATM 9 O LIG 1 23.724 23.508 115.301 1.00 0.00
o_6_ O
HETATM 10 H LIG 1 26.367 25.163 116.008 1.00 0.00
o_6_ H
HETATM 11 C LIG 1 23.883 25.803 115.499 1.00 0.00
o_6_ C
HETATM 12 C LIG 1 23.451 26.189 114.208 1.00 0.00
o_6_ C
HETATM 13 C LIG 1 22.787 27.392 113.983 1.00 0.00
o_6_ C
HETATM 14 C LIG 1 22.536 28.241 115.050 1.00 0.00
o_6_ C
HETATM 15 C LIG 1 22.952 27.883 116.333 1.00 0.00
o_6_ C
HETATM 16 C LIG 1 23.625 26.667 116.574 1.00 0.00
o_6_ C
HETATM 17 C LIG 1 24.040 26.405 117.972 1.00 0.00
o_6_ C
HETATM 18 O LIG 1 24.654 25.435 118.372 1.00 0.00
o_6_ O
HETATM 19 O LIG 1 23.731 27.425 118.794 1.00 0.00
o_6_ O
HETATM 20 H LIG 1 23.257 28.075 118.235 1.00 0.00
o_6_ H
HETATM 21 C LIG 1 28.857 19.512 115.701 1.00 0.00
o_6_ C
HETATM 22 N LIG 1 30.038 19.216 116.208 1.00 0.00
o_6_ N
HETATM 23 N LIG 1 30.295 17.907 115.854 1.00 0.00
o_6_ N
HETATM 24 C LIG 1 29.276 17.519 115.116 1.00 0.00
o_6_ C
HETATM 25 O LIG 1 28.313 18.482 114.991 1.00 0.00
o_6_ O
HETATM 26 C LIG 1 29.011 16.262 114.443 1.00 0.00
o_6_ C
HETATM 27 C LIG 1 27.883 16.110 113.623 1.00 0.00
o_6_ C
HETATM 28 C LIG 1 27.632 14.904 112.978 1.00 0.00
o_6_ C
HETATM 29 C LIG 1 28.501 13.829 113.148 1.00 0.00
o_6_ C
HETATM 30 C LIG 1 29.629 13.967 113.963 1.00 0.00
o_6_ C
HETATM 31 C LIG 1 29.887 15.180 114.602 1.00 0.00
o_6_ C
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Received on Thu Sep 17 2015 - 07:00:09 PDT
