REMARK  Name = BDB005983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.712   0.320  -0.602  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1       -2.672  -0.221   0.239  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.527  -1.162   0.996  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -3.911   0.566   0.070  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -3.602   1.590  -0.845  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -4.548   2.521  -1.242  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -5.830   2.416  -0.715  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -6.142   1.393   0.197  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -5.184   0.443   0.614  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -2.178   1.509  -1.278  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        2.266  -1.026  -0.375  0.00  0.00    -0.297 NA
ATOM     12  C   LIG    1        1.367  -1.901  -1.149  0.00  0.00    +0.086 C 
ATOM     13  C   LIG    1       -0.120  -1.561  -0.984  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -0.305  -0.079  -0.657  0.00  0.00    +0.079 C 
ATOM     15  C   LIG    1        0.453   0.293   0.626  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        1.646  -0.631   0.894  0.00  0.00    +0.086 C 
BRANCH  11  17
ATOM     17  C   LIG    1        3.567  -1.683  -0.182  0.00  0.00    +0.137 C 
BRANCH  17  20
ATOM     18  C   LIG    1        4.524   0.803  -1.709  0.00  0.00    +0.148 C 
ATOM     19  N   LIG    1        5.035   0.376  -0.424  0.00  0.00    -0.352 N 
ATOM     20  C   LIG    1        4.620  -0.727   0.290  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        5.364  -0.756   1.458  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        6.240   0.353   1.446  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        6.016   1.036   0.273  0.00  0.00    +0.085 A 
ENDBRANCH  17  20
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  24
ATOM     24  C   LIG    1       -5.666  -0.582   1.584  0.00  0.00    +0.242 C 
ATOM     25  O   LIG    1       -6.862  -0.685   1.841  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1       -4.781  -1.402   2.208  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1       -3.798  -1.476   1.949  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -5.154  -2.132   2.798  0.00  0.00    +0.145 HD
ENDBRANCH   9  24
TORSDOF 4