REMARK  Name = BDB031543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.576   0.890   0.206  0.00  0.00    +0.201 C 
ATOM      2  C   LIG    1       -0.196   0.684  -1.284  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.216   0.945  -0.913  0.00  0.00    -0.291 NA
ATOM      4  C   LIG    1        0.901   0.495   0.468  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   1   5
ATOM      5  O   LIG    1       -1.561  -0.005   0.772  0.00  0.00    -0.485 OA
BRANCH   5   9
ATOM      6  C   LIG    1       -5.567   0.241  -0.084  0.00  0.00    +0.126 A 
ATOM      7  N   LIG    1       -5.088  -0.832   0.605  0.00  0.00    -0.247 NA
ATOM      8  C   LIG    1       -3.756  -0.833   0.847  0.00  0.00    +0.157 A 
ATOM      9  C   LIG    1       -2.878   0.167   0.438  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1       -3.404   1.252  -0.256  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -4.772   1.293  -0.526  0.00  0.00    +0.036 A 
BRANCH   6  14
ATOM     12  N   LIG    1       -7.715  -0.850   0.122  0.00  0.00    -0.310 N 
ATOM     13  H   LIG    1       -7.159  -1.516   0.654  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -7.042   0.255  -0.356  0.00  0.00    +0.262 C 
ATOM     15  O   LIG    1       -7.575   1.185  -0.949  0.00  0.00    -0.269 OA
BRANCH  12  17
ATOM     16  C   LIG    1       -9.840  -0.284   1.201  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -9.149  -0.989   0.048  0.00  0.00    +0.101 C 
ENDBRANCH  12  17
ENDBRANCH   6  14
ENDBRANCH   5   9
ENDBRANCH   1   5
BRANCH   3  18
ATOM     18  C   LIG    1        2.108  -0.001  -1.590  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.541   0.170  -1.153  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1        4.214  -0.826  -0.434  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        5.535  -0.610  -0.061  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1        6.147   0.591  -0.416  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1        7.535   0.817  -0.026  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        8.217  -0.113   0.665  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        7.556  -1.403   1.046  0.00  0.00    +0.252 A 
ATOM     26  O   LIG    1        8.149  -2.272   1.677  0.00  0.00    -0.268 OA
ATOM     27  C   LIG    1        9.639   0.059   1.095  0.00  0.00    +0.049 C 
ATOM     28  N   LIG    1        5.531   1.572  -1.107  0.00  0.00    -0.253 NA
ATOM     29  N   LIG    1        6.251  -1.573   0.658  0.00  0.00    -0.321 N 
ATOM     30  H   LIG    1        5.822  -2.448   0.924  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1        4.242   1.340  -1.453  0.00  0.00    +0.116 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6