REMARK  Name = BDB031507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.270  -0.048  -2.307  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        0.014   0.983  -1.287  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -1.537   1.109  -1.223  0.00  0.00    +0.122 C 
ATOM      4  C   LIG    1       -1.901   2.598  -1.153  0.00  0.00    +0.057 C 
ATOM      5  C   LIG    1       -1.996   0.408  -2.515  0.00  0.00    +0.064 C 
ATOM      6  C   LIG    1       -0.732   0.205  -3.337  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.633  -0.023  -2.838  0.00  0.00    +0.121 C 
BRANCH   7  17
ATOM      8  C   LIG    1        6.495  -0.968   1.395  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        6.648   0.402   0.802  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1        7.572   1.146   1.115  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1        5.707   0.795  -0.115  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1        5.825   1.721  -0.501  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1        4.642  -0.020  -0.517  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        4.504  -1.298   0.021  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1        3.512  -2.149  -0.312  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        2.615  -1.694  -1.220  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1        2.666  -0.434  -1.820  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        3.713   0.419  -1.452  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        5.481  -1.759   1.001  0.00  0.00    +0.038 A 
BRANCH   8  21
ATOM     20  C   LIG    1        7.301  -0.799   3.769  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1        7.531  -1.407   2.392  0.00  0.00    +0.037 C 
ENDBRANCH   8  21
ENDBRANCH   7  17
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  O   LIG    1       -1.943   0.414  -0.031  0.00  0.00    -0.483 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -3.241   0.244   0.335  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1       -4.386   0.548  -0.389  0.00  0.00    +0.157 A 
ATOM     25  N   LIG    1       -5.653   0.342   0.052  0.00  0.00    -0.247 NA
ATOM     26  C   LIG    1       -5.779  -0.208   1.293  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1       -4.701  -0.557   2.091  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1       -3.419  -0.326   1.597  0.00  0.00    +0.049 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -7.178  -0.438   1.780  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1       -8.158  -0.022   0.903  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -7.833   0.300  -0.005  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -9.554  -0.276   1.131  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1       -7.403  -0.963   2.865  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6