REMARK  Name = BDB051744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.247  -1.812  -1.992  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -2.340  -1.243  -1.240  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -2.277  -0.329  -0.232  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.135   0.338   0.363  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -1.396   1.409   1.205  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -2.796   1.934   1.411  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -3.911   0.869   1.242  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.277   1.992   1.739  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        0.972   1.550   1.496  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        1.108   0.491   0.681  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1        0.088  -0.136   0.085  0.00  0.00    -0.213 NA
ATOM     12  C   LIG    1       -3.585  -0.093   0.149  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.386  -0.918  -0.688  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -3.604  -1.607  -1.542  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -5.849  -1.078  -0.699  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.521  -1.353  -1.690  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.469  -0.939   0.519  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -7.433  -1.244   0.522  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -5.934  -1.106   1.358  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1        2.367  -0.019   0.404  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        2.278  -0.574  -0.439  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.421   0.974   0.380  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.706   0.338  -0.078  0.00  0.00    -0.012 A 
ATOM     24  C   LIG    1        5.404   0.834  -1.175  0.00  0.00    +0.115 A 
ATOM     25  N   LIG    1        6.569   0.321  -1.631  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        7.070  -0.738  -0.960  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        6.462  -1.306   0.146  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.264  -0.756   0.593  0.00  0.00    +0.008 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 4