REMARK  Name = BDB054477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.800  -0.818   0.044  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.541  -0.782  -0.067  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.128  -1.973   0.131  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -0.487  -3.161   0.423  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -1.518  -4.109   0.537  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1       -2.729  -3.579   0.336  0.00  0.00    -0.177 NA
ATOM      7  C   LIG    1        0.892  -3.108   0.518  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -2.467  -2.269   0.088  0.00  0.00    -0.243 N 
ATOM      9  N   LIG    1        1.522  -1.926   0.326  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.567  -1.373  -0.183  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1       -3.708  -0.204   0.804  0.00  0.00    +0.033 C 
ATOM     12  C   LIG    1       -4.483   0.836   0.024  0.00  0.00    -0.027 C 
ATOM     13  C   LIG    1       -5.641   1.565   0.665  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -4.360   2.297   0.392  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -4.566   0.420  -1.426  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -3.524  -0.692  -1.555  0.00  0.00    +0.027 C 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     17  N   LIG    1        1.425   0.416  -0.159  0.00  0.00    -0.282 N 
ATOM     18  H   LIG    1        0.697   1.092  -0.351  0.00  0.00    +0.155 HD
BRANCH  17  23
ATOM     19  C   LIG    1        5.306   3.296  -0.448  0.00  0.00    +0.149 C 
ATOM     20  N   LIG    1        4.505   2.102  -0.268  0.00  0.00    -0.344 N 
ATOM     21  C   LIG    1        4.990   0.838   0.024  0.00  0.00    +0.106 A 
ATOM     22  C   LIG    1        3.871   0.014   0.102  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        2.717   0.790  -0.137  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        3.136   2.078  -0.363  0.00  0.00    +0.109 A 
BRANCH  21  25
ATOM     25  C   LIG    1        6.394   0.517   0.193  0.00  0.00    +0.258 C 
ATOM     26  O   LIG    1        7.316   1.317   0.071  0.00  0.00    -0.269 OA
ATOM     27  N   LIG    1        6.677  -0.777   0.519  0.00  0.00    -0.324 N 
ATOM     28  H   LIG    1        7.646  -1.014   0.676  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        5.967  -1.470   0.691  0.00  0.00    +0.145 HD
ENDBRANCH  21  25
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 4