REMARK  Name = BDB060924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.105   0.046  -0.456  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1       -0.481  -0.697   0.561  0.00  0.00    +0.127 A 
ATOM      3  N   LIG    1       -1.829  -0.365   0.508  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1       -1.986   0.525  -0.547  0.00  0.00    +0.140 A 
ATOM      5  C   LIG    1       -3.297   1.009  -0.816  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -4.355   0.609  -0.071  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -4.137  -0.338   1.032  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -2.901  -0.798   1.290  0.00  0.00    +0.095 A 
ATOM      9  N   LIG    1       -0.842   0.784  -1.137  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -5.675   1.093  -0.332  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -6.782   0.333  -0.634  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1       -7.041  -1.109  -0.806  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -7.850   1.156  -0.812  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -7.460   2.470  -0.638  0.00  0.00    -0.083 NA
ATOM     15  C   LIG    1       -6.152   2.430  -0.350  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1       -5.413   3.688  -0.092  0.00  0.00    +0.070 C 
ENDBRANCH   6  10
BRANCH   2  17
ATOM     17  N   LIG    1        0.024  -1.538   1.515  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -0.496  -1.584   2.390  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.610  -2.860   1.188  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1        0.029  -3.882   2.190  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        2.127  -2.792   1.400  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1        0.283  -3.356  -0.228  0.00  0.00    +0.031 C 
ENDBRANCH  17  19
ENDBRANCH   2  17
BRANCH   1  23
ATOM     23  C   LIG    1        1.538   0.194  -0.836  0.00  0.00    +0.063 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.317   1.032   0.179  0.00  0.00    +0.041 C 
BRANCH  24  28
ATOM     25  C   LIG    1        6.458   1.485  -0.986  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        6.091   0.537  -0.029  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        4.756   0.390   0.355  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        3.765   1.196  -0.216  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1        4.136   2.145  -1.177  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        5.474   2.289  -1.560  0.00  0.00    +0.046 A 
BRANCH  25  32
ATOM     31  C   LIG    1        8.220   2.477  -2.234  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        7.796   1.523  -1.269  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7