REMARK  Name = BDB061986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.434   0.212  -0.289  0.00  0.00    +0.228 A 
ATOM      2  O   LIG    1       -2.120   0.128  -1.624  0.00  0.00    -0.435 OA
ATOM      3  C   LIG    1       -0.758   0.146  -1.645  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1       -0.312   0.238  -0.339  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1        1.069   0.274  -0.089  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        1.950   0.214  -1.180  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        1.443   0.121  -2.491  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        0.067   0.084  -2.758  0.00  0.00    +0.050 A 
ATOM      9  N   LIG    1       -1.386   0.280   0.514  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -6.588   0.228   0.778  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1       -5.593   0.302   1.759  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.242   0.297   1.399  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -3.854   0.215   0.054  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -4.856   0.134  -0.924  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -6.209   0.139  -0.566  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -8.555  -1.198   1.400  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -8.044   0.215   1.166  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1        3.356   0.245  -1.048  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1        3.882   0.207  -1.913  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        4.083   0.347   0.121  0.00  0.00    +0.249 C 
ATOM     21  O   LIG    1        3.662   0.379   1.269  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        5.554   0.340  -0.064  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1        6.258   1.306  -0.799  0.00  0.00    +0.026 A 
ATOM     24  I   LIG    1        5.354   2.964  -1.710  0.00  0.00    -0.043 I 
ATOM     25  C   LIG    1        7.652   1.210  -0.912  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        8.344   0.168  -0.288  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        7.638  -0.782   0.460  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1        6.246  -0.700   0.579  0.00  0.00    +0.046 A 
BRANCH  27  29
ATOM     29  N   LIG    1        8.364  -1.875   1.120  0.00  0.00    +0.056 N 
ATOM     30  O   LIG    1        7.695  -2.785   1.626  0.00  0.00    -0.126 OA
ATOM     31  O   LIG    1        9.601  -1.824   1.118  0.00  0.00    -0.126 OA
ENDBRANCH  27  29
ENDBRANCH  20  22
ENDBRANCH   6  18
TORSDOF 5