REMARK  Name = BDB051703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.206  -1.298   0.181  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -2.965  -1.948   0.338  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -2.615  -3.387   0.499  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -1.230  -3.703  -0.105  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -0.217  -2.594   0.027  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -0.582  -1.261   0.164  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.293  -0.252   0.125  0.00  0.00    -0.213 NA
ATOM      8  C   LIG    1        1.587  -0.567   0.006  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1        2.044  -1.820  -0.116  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        1.133  -2.809  -0.115  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -2.002  -0.952   0.285  0.00  0.00    +0.097 A 
ATOM     12  N   LIG    1       -2.697   0.247   0.282  0.00  0.00    -0.230 N 
ATOM     13  N   LIG    1       -4.027   0.029   0.035  0.00  0.00    -0.161 NA
ENDROOT
BRANCH  12  14
ATOM     14  C   LIG    1       -2.282   1.585   0.551  0.00  0.00    +0.066 A 
ATOM     15  C   LIG    1       -3.036   2.651   0.032  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -2.671   3.972   0.300  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -1.567   4.241   1.105  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -0.835   3.190   1.653  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -1.196   1.866   1.387  0.00  0.00    +0.028 A 
ENDBRANCH  12  14
BRANCH   1  23
ATOM     20  N   LIG    1       -6.557  -0.998  -0.054  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -6.322  -0.014  -0.119  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -7.515  -1.310  -0.062  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1       -5.547  -1.899   0.138  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1       -5.770  -3.098   0.266  0.00  0.00    -0.269 OA
ENDBRANCH   1  23
BRANCH   8  25
ATOM     25  N   LIG    1        2.457   0.516   0.011  0.00  0.00    -0.311 N 
ATOM     26  H   LIG    1        1.871   1.317  -0.202  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.639   0.369  -0.822  0.00  0.00    +0.073 C 
ATOM     28  C   LIG    1        4.212   1.755  -1.157  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1        5.716   1.550  -1.180  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        5.941   0.614  -0.007  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        4.774  -0.365  -0.084  0.00  0.00    +0.022 C 
ENDBRANCH  25  27
ENDBRANCH   8  25
TORSDOF 4