REMARK  Name = BDB006915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.260   0.705  -1.847  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.935  -0.476  -1.575  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -2.070  -0.595  -0.751  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -2.458  -1.924  -0.648  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1       -3.527  -2.241   0.158  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1       -4.197  -1.312   0.872  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1       -3.791  -0.013   0.769  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -1.591  -2.827  -1.481  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -0.985  -3.969  -0.660  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1       -2.377  -3.383  -2.675  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -2.738   0.389  -0.050  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.495  -1.834  -1.950  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.670   1.827  -1.538  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        1.105   0.572  -2.544  0.00  0.00    +0.181 C 
BRANCH  14  21
ATOM     15  C   LIG    1        3.968   0.978  -4.236  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1        4.366   0.459  -2.853  0.00  0.00    +0.065 C 
ATOM     17  N   LIG    1        4.771   1.574  -1.979  0.00  0.00    -0.310 NA
ATOM     18  H   LIG    1        5.282   1.164  -1.185  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1        3.600   2.248  -1.383  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1        2.559   1.313  -0.708  0.00  0.00    +0.158 C 
ATOM     21  N   LIG    1        2.130   0.161  -1.564  0.00  0.00    -0.280 NA
ATOM     22  C   LIG    1        3.301  -0.469  -2.205  0.00  0.00    +0.104 C 
BRANCH  20  23
ATOM     23  C   LIG    1        3.131   0.773   0.627  0.00  0.00    +0.234 C 
ATOM     24  N   LIG    1        2.215   0.543   1.622  0.00  0.00    -0.300 N 
ATOM     25  C   LIG    1        2.400  -0.216   2.847  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        0.896  -0.015   3.075  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1        0.779   0.336   1.587  0.00  0.00    +0.109 C 
ATOM     28  O   LIG    1        4.333   0.551   0.793  0.00  0.00    -0.274 OA
ENDBRANCH  20  23
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   7  29
ATOM     29  C   LIG    1       -4.498   1.004   1.638  0.00  0.00    +0.090 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.652   1.478   2.800  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -3.061   2.749   2.785  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -2.261   3.169   3.850  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.045   2.324   4.937  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.625   1.057   4.961  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -3.423   0.635   3.897  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 5