REMARK  Name = BDB004015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.828   0.978  -0.912  0.00  0.00    +0.197 C 
ATOM      2  O   LIG    1       -1.815   1.822  -1.804  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -3.857  -0.364  -1.554  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1       -3.000   0.175  -0.604  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -3.526  -0.222   0.671  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -4.631  -1.018   0.393  0.00  0.00    +0.136 A 
ATOM      7  C   LIG    1       -5.426  -1.622   1.362  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -5.082  -1.379   2.696  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.990  -0.574   3.021  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.203   0.011   2.021  0.00  0.00    +0.012 A 
ATOM     11  O   LIG    1       -4.821  -1.114  -0.947  0.00  0.00    -0.459 OA
BRANCH   3  12
ATOM     12  C   LIG    1       -3.904  -0.330  -3.042  0.00  0.00    +0.075 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.255   0.118  -3.600  0.00  0.00    +0.007 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -6.920   1.984  -3.891  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -5.594   1.575  -3.271  0.00  0.00    -0.003 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   3  12
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.571   0.755  -0.144  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -0.225  -0.507   0.354  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1        0.969  -0.675   1.061  0.00  0.00    +0.057 A 
ATOM     19  I   LIG    1        1.347  -2.573   1.867  0.00  0.00    -0.040 I 
ATOM     20  C   LIG    1        1.850   0.405   1.237  0.00  0.00    +0.147 A 
ATOM     21  C   LIG    1        1.489   1.671   0.753  0.00  0.00    +0.057 A 
ATOM     22  I   LIG    1        2.667   3.376   1.084  0.00  0.00    -0.040 I 
ATOM     23  C   LIG    1        0.293   1.842   0.050  0.00  0.00    +0.029 A 
BRANCH  20  24
ATOM     24  O   LIG    1        3.007   0.239   1.956  0.00  0.00    -0.492 OA
BRANCH  24  25
ATOM     25  C   LIG    1        4.112  -0.110   1.106  0.00  0.00    +0.211 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.329  -0.292   2.019  0.00  0.00    -0.035 C 
BRANCH  26  27
ATOM     27  N   LIG    1        6.650  -0.624   1.295  0.00  0.00    +0.377 N 
ATOM     28  C   LIG    1        6.529  -1.885   0.448  0.00  0.00    -0.093 C 
ATOM     29  C   LIG    1        7.717  -0.865   2.369  0.00  0.00    -0.093 C 
ATOM     30  C   LIG    1        7.109   0.539   0.421  0.00  0.00    -0.093 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH   1  16
TORSDOF 9