REMARK  Name = BDB029523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.626  -1.292  -0.174  0.00  0.00    -0.315 N 
ATOM      2  C   LIG    1       -1.235  -0.672  -1.359  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -2.013   0.579  -0.973  0.00  0.00    +0.054 C 
ATOM      4  C   LIG    1       -3.129   0.221   0.015  0.00  0.00    +0.115 C 
ATOM      5  C   LIG    1       -3.335   1.370   1.023  0.00  0.00    +0.244 C 
ATOM      6  O   LIG    1       -2.552   1.716   1.895  0.00  0.00    -0.273 OA
ATOM      7  N   LIG    1       -4.545   1.946   0.795  0.00  0.00    -0.238 N 
ATOM      8  H   LIG    1       -4.929   2.705   1.331  0.00  0.00    +0.159 HD
ATOM      9  C   LIG    1       -5.228   1.273  -0.157  0.00  0.00    +0.307 C 
ATOM     10  O   LIG    1       -6.360   1.509  -0.538  0.00  0.00    -0.252 OA
ATOM     11  N   LIG    1       -4.435   0.254  -0.623  0.00  0.00    -0.285 N 
ATOM     12  H   LIG    1       -4.761  -0.362  -1.357  0.00  0.00    +0.151 HD
ATOM     13  C   LIG    1       -2.912  -1.102   0.755  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1       -1.430  -1.311   1.059  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        3.413  -0.367   0.458  0.00  0.00    +0.077 A 
ATOM     16  C   LIG    1        2.626   0.271  -0.485  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1        1.317  -0.018  -0.706  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1        0.728  -0.980   0.039  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        1.466  -1.675   1.002  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1        2.812  -1.367   1.215  0.00  0.00    +0.020 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.837  -0.035   0.678  0.00  0.00    +0.340 C 
ATOM     22  O   LIG    1        5.537  -0.599   1.504  0.00  0.00    -0.245 OA
BRANCH  21  24
ATOM     23  C   LIG    1        6.601   1.338   0.004  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1        5.232   0.961  -0.153  0.00  0.00    -0.464 OA
ENDBRANCH  21  24
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 3