REMARK  Name = BDB065220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.226  -1.112  -0.238  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.193  -0.165  -0.715  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.153  -0.370   0.021  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.704  -1.742  -0.094  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.380  -2.753  -0.091  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.719  -2.272   0.514  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.005   0.491   0.578  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.495   0.629  -0.666  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        4.273   0.082  -0.924  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        3.828   0.216  -2.354  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.489  -0.591   0.039  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.074  -0.722   1.306  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.330  -0.181   1.584  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        7.819   1.940  -1.458  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.111   1.728  -0.061  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.991   2.072   0.299  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.351   1.084   0.890  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.807   1.000   2.032  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.695  -2.015   0.959  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.931  -1.145   0.854  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.717  -1.170  -0.309  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.855  -0.370  -0.401  0.00  0.00    +0.053 A 
ATOM     23  N   LIG    1       -5.631  -0.398  -1.574  0.00  0.00    -0.307 N 
ATOM     24  H   LIG    1       -5.351  -0.997  -2.338  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -6.773   0.341  -1.792  0.00  0.00    +0.332 A 
ATOM     26  N   LIG    1       -7.130   1.166  -0.707  0.00  0.00    -0.269 N 
ATOM     27  C   LIG    1       -6.433   1.265   0.490  0.00  0.00    +0.060 A 
ATOM     28  C   LIG    1       -7.093   2.172   1.298  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -8.220   2.643   0.584  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -8.221   2.013  -0.639  0.00  0.00    +0.096 A 
ATOM     31  O   LIG    1       -7.449   0.320  -2.811  0.00  0.00    -0.246 OA
ATOM     32  C   LIG    1       -5.232   0.461   0.665  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1       -4.456   0.486   1.825  0.00  0.00    +0.012 A 
ATOM     34  C   LIG    1       -3.313  -0.314   1.918  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4