REMARK  Name = BDB002705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.335   0.593   0.534  0.00  0.00    -0.312 N 
ATOM      2  H   LIG    1        0.551   1.415  -0.012  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        1.352  -0.301   0.829  0.00  0.00    +0.220 C 
ATOM      4  O   LIG    1        1.136  -1.412   1.295  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -4.344   2.225   0.775  0.00  0.00    +0.007 C 
ATOM      6  C   LIG    1       -3.402   1.066   1.105  0.00  0.00    -0.012 C 
ATOM      7  C   LIG    1       -3.826  -0.249   0.423  0.00  0.00    +0.009 C 
ATOM      8  C   LIG    1       -3.029  -0.628  -0.845  0.00  0.00    -0.033 C 
ATOM      9  C   LIG    1       -3.359   0.330  -2.008  0.00  0.00    +0.011 C 
ATOM     10  C   LIG    1       -3.457  -2.042  -1.290  0.00  0.00    +0.011 C 
ATOM     11  C   LIG    1       -1.502  -0.626  -0.569  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -1.067   0.210   0.650  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -1.942   1.448   0.828  0.00  0.00    +0.025 C 
ENDBRANCH   1  12
BRANCH   3  14
ATOM     14  C   LIG    1        2.737   0.246   0.495  0.00  0.00    +0.120 C 
ATOM     15  C   LIG    1        3.967  -0.499   1.039  0.00  0.00    +0.140 C 
ATOM     16  C   LIG    1        4.613  -1.038  -0.245  0.00  0.00    +0.133 C 
ATOM     17  O   LIG    1        3.481  -1.213  -1.129  0.00  0.00    -0.372 OA
ATOM     18  C   LIG    1        5.335   0.100  -0.972  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1        4.162   0.949  -1.471  0.00  0.00    +0.035 C 
ATOM     20  C   LIG    1        2.952   0.126  -1.020  0.00  0.00    +0.131 C 
BRANCH  15  21
ATOM     21  C   LIG    1        3.722  -1.585   2.050  0.00  0.00    +0.311 C 
ATOM     22  O   LIG    1        4.024  -2.763   1.970  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1        3.196  -1.087   3.191  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1        2.979  -1.895   3.704  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   3  14
TORSDOF 4