REMARK  Name = BDB031738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.473  -2.337   0.197  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.466  -2.136   1.226  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.538  -1.265   0.997  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -1.733  -0.594  -0.202  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -2.923   0.182  -0.010  0.00  0.00    +0.152 A 
ATOM      6  N   LIG    1       -3.420  -0.007   1.218  0.00  0.00    -0.158 NA
ATOM      7  C   LIG    1       -0.809  -0.805  -1.242  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1       -2.576  -0.874   1.793  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1       -2.766  -1.163   2.745  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1        0.270  -1.677  -1.027  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        3.705   1.042   0.187  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        3.037  -0.134   0.560  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        3.526  -1.361   0.135  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1        3.082  -2.781   0.345  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        1.648  -3.270   0.380  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1        4.130  -3.602  -0.371  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1        5.027  -2.713  -0.935  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        5.830  -3.013  -1.466  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        4.155  -4.820  -0.428  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        2.482  -3.235   1.645  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        4.691  -1.389  -0.644  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        5.375  -0.255  -1.028  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.867   0.977  -0.604  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1        3.737   3.421   0.297  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        3.127   2.189   0.661  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1       -3.421   0.981  -0.994  0.00  0.00    -0.295 N 
ATOM     27  H   LIG    1       -2.888   0.987  -1.856  0.00  0.00    +0.154 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -4.524   1.770  -0.976  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1       -5.436   1.973   0.029  0.00  0.00    +0.131 A 
ATOM     30  N   LIG    1       -6.352   2.857  -0.460  0.00  0.00    -0.273 N 
ATOM     31  C   LIG    1       -7.507   3.377   0.230  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1       -6.102   3.249  -1.725  0.00  0.00    -0.178 NA
ATOM     33  C   LIG    1       -4.985   2.583  -2.035  0.00  0.00    +0.157 A 
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 4