REMARK  Name = BDB056194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.243  -0.587   0.271  0.00  0.00    +0.050 A 
ATOM      2  N   LIG    1       -0.766  -1.854   0.240  0.00  0.00    -0.322 N 
ATOM      3  H   LIG    1       -0.152  -2.647   0.102  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -2.106  -2.147   0.330  0.00  0.00    +0.257 A 
ATOM      5  O   LIG    1       -2.517  -3.301   0.276  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -3.026  -0.993   0.498  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -2.497   0.310   0.575  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -3.376   1.394   0.782  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -4.760   1.151   0.779  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -5.272  -0.145   0.692  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -4.404  -1.222   0.565  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -1.040   0.481   0.430  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        4.006  -0.184  -0.144  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        3.461  -0.929   0.903  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        2.076  -1.061   1.041  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        1.214  -0.442   0.129  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        1.764   0.303  -0.922  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        3.152   0.433  -1.058  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1        5.978   0.595  -1.220  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        5.373  -0.137  -0.162  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH   1  16
BRANCH   8  21
ATOM     21  N   LIG    1       -2.941   2.734   0.787  0.00  0.00    -0.357 N 
ATOM     22  H   LIG    1       -3.612   3.375   1.201  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1       -2.018   2.861   1.190  0.00  0.00    +0.142 HD
ENDBRANCH   8  21
TORSDOF 3