REMARK  Name = BDB022473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.817   0.945   0.874  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        0.585   0.622   0.276  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.642   0.890   0.910  0.00  0.00    -0.035 A 
ATOM      4  C   LIG    1       -0.620   1.486   2.179  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.589   1.813   2.790  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.796   1.546   2.141  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.553   0.116  -1.117  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        4.535   0.820  -1.769  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        3.321   1.088  -1.123  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        3.091   0.659   0.192  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        4.117  -0.048   0.834  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        5.333  -0.317   0.190  0.00  0.00    +0.024 A 
BRANCH   7  14
ATOM     13  C   LIG    1        7.878  -0.762  -1.397  0.00  0.00    +0.241 C 
ATOM     14  N   LIG    1        6.744  -0.111  -1.838  0.00  0.00    -0.282 N 
ATOM     15  H   LIG    1        6.754   0.252  -2.781  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        8.070  -1.258  -0.295  0.00  0.00    -0.271 OA
BRANCH  13  18
ATOM     17  C   LIG    1       10.113  -1.396  -2.214  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1        8.932  -0.811  -2.454  0.00  0.00    +0.060 C 
ENDBRANCH  13  18
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   3  19
ATOM     19  C   LIG    1       -1.984   0.551   0.258  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1       -2.114   1.203  -1.122  0.00  0.00    +0.022 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -2.232  -0.959   0.143  0.00  0.00    +0.225 C 
ATOM     22  N   LIG    1       -3.490  -1.487   0.135  0.00  0.00    -0.268 N 
ATOM     23  H   LIG    1       -3.488  -2.493   0.048  0.00  0.00    +0.156 HD
ATOM     24  O   LIG    1       -1.305  -1.768   0.010  0.00  0.00    -0.275 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -4.721  -0.885   0.230  0.00  0.00    +0.147 A 
ATOM     26  N   LIG    1       -4.951   0.421   0.345  0.00  0.00    -0.158 NA
ATOM     27  N   LIG    1       -6.286   0.532   0.401  0.00  0.00    -0.280 N 
ATOM     28  H   LIG    1       -6.689   1.459   0.492  0.00  0.00    +0.189 HD
ATOM     29  C   LIG    1       -6.937  -0.667   0.327  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -5.939  -1.610   0.213  0.00  0.00    +0.068 A 
BRANCH  29  31
ATOM     31  C   LIG    1       -8.418  -0.784   0.371  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -8.930  -0.899   1.798  0.00  0.00    +0.010 C 
ENDBRANCH  29  31
ENDBRANCH  22  25
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 7