REMARK  Name = BDB007528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.709  -0.180   2.090  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.200  -0.654   1.080  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.859  -0.952   0.989  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.464  -1.349   0.146  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        3.030  -0.910  -0.129  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        4.187  -0.136  -0.306  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        5.027  -0.336  -1.406  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        4.658  -1.295  -2.358  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        3.516  -2.081  -2.185  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        2.705  -1.897  -1.066  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1        6.162   0.468  -1.651  0.00  0.00    -0.337 N 
ATOM     12  H   LIG    1        6.849  -0.032  -2.217  0.00  0.00    +0.147 HD
BRANCH  11  13
ATOM     13  C   LIG    1        6.789   1.340  -0.684  0.00  0.00    +0.122 C 
ATOM     14  C   LIG    1        7.756   0.611   0.262  0.00  0.00    +0.184 C 
ATOM     15  O   LIG    1        8.903   1.049  -0.516  0.00  0.00    -0.376 OA
ATOM     16  C   LIG    1        8.066   2.003  -1.222  0.00  0.00    +0.184 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1       -0.029  -0.809   2.129  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.510  -0.833   1.716  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.739  -2.015   0.930  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -1.589  -2.778   1.515  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -1.885   0.434   0.906  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.314   0.733   0.696  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -4.017  -0.305  -0.075  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.479   0.026  -0.309  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -6.156   0.928   0.532  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -7.516   1.189   0.321  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -8.207   0.540  -0.701  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.545  -0.368  -1.524  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.401   1.663   1.612  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -6.188  -0.627  -1.327  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.043   1.020   1.934  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 8