REMARK  Name = BDB031542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.039  -0.803   0.273  0.00  0.00    -0.286 NA
ATOM      2  C   LIG    1        0.272  -0.925  -1.176  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -0.387  -2.180  -1.735  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1        1.802  -1.025  -0.928  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1        1.458  -1.002   0.579  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.476   0.518   0.693  0.00  0.00    +0.086 C 
ATOM      7  C   LIG    1        0.279   1.778   0.223  0.00  0.00    +0.029 C 
BRANCH   6  17
ATOM      8  C   LIG    1       -6.984   0.008   0.434  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -6.478  -0.834   1.569  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -7.234  -1.490   2.277  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -5.123  -0.840   1.785  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1       -4.798  -1.412   2.553  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1       -4.218  -0.121   0.997  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -4.681   0.647  -0.066  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1       -3.877   1.361  -0.880  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1       -2.549   1.302  -0.615  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1       -1.978   0.577   0.433  0.00  0.00    -0.010 A 
ATOM     18  C   LIG    1       -2.853  -0.159   1.249  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -6.114   0.691  -0.334  0.00  0.00    +0.038 A 
BRANCH   8  21
ATOM     20  C   LIG    1       -9.213   0.908   1.166  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -8.467   0.012   0.187  0.00  0.00    +0.037 C 
ENDBRANCH   8  21
ENDBRANCH   6  17
ENDBRANCH   1   6
BRANCH   4  22
ATOM     22  O   LIG    1        2.576   0.083  -1.450  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.906   0.168  -1.139  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1        4.677  -0.827  -0.549  0.00  0.00    +0.157 A 
ATOM     25  N   LIG    1        5.994  -0.696  -0.256  0.00  0.00    -0.247 NA
ATOM     26  C   LIG    1        6.569   0.498  -0.581  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1        5.884   1.546  -1.182  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1        4.531   1.370  -1.464  0.00  0.00    +0.049 A 
BRANCH  26  29
ATOM     29  C   LIG    1        8.026   0.645  -0.260  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1        8.583  -0.454   0.359  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1        7.982  -1.271   0.441  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1        9.991  -0.556   0.627  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1        8.645   1.663  -0.544  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6