REMARK  Name = BDB012873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.522  -2.432   1.824  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        0.596  -1.995   0.864  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.100  -2.344  -0.469  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        0.398  -1.717  -1.669  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -0.340  -1.855  -2.643  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.084  -3.183  -0.372  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -1.149  -3.613   1.086  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        1.575  -0.889  -1.736  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1        2.766  -1.113  -1.105  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1        3.013  -1.889  -0.502  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        3.703  -0.183  -1.346  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1        3.121   0.643  -2.225  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1        1.799   0.233  -2.512  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1        3.855   1.826  -2.788  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1        4.234   2.830  -1.698  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        5.091   1.403  -3.585  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1       -1.190  -0.320   2.901  0.00  0.00    +0.248 C 
ATOM     18  N   LIG    1       -1.488  -1.367   2.054  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -2.248  -1.226   1.393  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -0.183  -0.306   3.602  0.00  0.00    -0.270 OA
BRANCH  17  22
ATOM     21  C   LIG    1       -3.022   1.144   1.892  0.00  0.00    +0.133 A 
ATOM     22  C   LIG    1       -2.156   0.814   2.944  0.00  0.00    +0.078 A 
ATOM     23  C   LIG    1       -2.179   1.594   4.110  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -3.078   2.655   4.239  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.964   2.947   3.204  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -3.941   2.190   2.034  0.00  0.00    +0.046 A 
BRANCH  21  27
ATOM     27  O   LIG    1       -3.040   0.438   0.715  0.00  0.00    -0.491 OA
BRANCH  27  29
ATOM     28  C   LIG    1       -2.675   0.609  -1.641  0.00  0.00    +0.048 C 
ATOM     29  C   LIG    1       -2.232   1.096  -0.275  0.00  0.00    +0.226 C 
ENDBRANCH  27  29
ENDBRANCH  21  27
ENDBRANCH  17  22
ENDBRANCH   1  18
TORSDOF 6