REMARK  Name = BDB004114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.834  -2.413  -2.137  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -2.183  -1.802  -0.861  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.154  -1.313  -0.017  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -1.481  -0.938   1.280  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.501  -0.506   2.183  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.831  -0.436   1.779  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        1.187  -0.806   0.478  0.00  0.00    -0.045 A 
ATOM      8  C   LIG    1       -2.888  -1.003   1.695  0.00  0.00    +0.265 A 
ATOM      9  O   LIG    1       -3.157  -0.964   2.891  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1       -3.833  -1.078   0.678  0.00  0.00    -0.248 N 
ATOM     11  C   LIG    1        0.190  -1.242  -0.413  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -3.517  -1.819  -0.457  0.00  0.00    +0.333 A 
ATOM     13  O   LIG    1       -4.361  -2.459  -1.084  0.00  0.00    -0.246 OA
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1       -5.248  -1.009   1.107  0.00  0.00    +0.181 C 
ATOM     15  C   LIG    1       -5.533   0.119   2.122  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1       -6.291  -0.051   3.080  0.00  0.00    -0.273 OA
ATOM     17  N   LIG    1       -5.086   1.390   1.854  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -5.376   1.962   2.641  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -5.473   2.052   0.720  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -6.094   3.110   0.796  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -5.099   1.440  -0.605  0.00  0.00    +0.096 C 
ATOM     22  C   LIG    1       -6.007   0.299  -1.038  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -6.304  -0.791  -0.001  0.00  0.00    +0.035 C 
ENDBRANCH  10  14
BRANCH   7  24
ATOM     24  C   LIG    1        2.625  -0.716   0.028  0.00  0.00    +0.046 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.938   0.645  -0.577  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.366   0.669  -1.047  0.00  0.00    +0.308 C 
ATOM     27  O   LIG    1        4.715   0.305  -2.160  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1        5.177   1.106  -0.050  0.00  0.00    -0.459 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.613   1.194  -0.245  0.00  0.00    +0.105 C 
ATOM     30  C   LIG    1        6.964   2.193  -1.352  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        7.222  -0.188  -0.504  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        7.155   1.727   1.090  0.00  0.00    +0.055 C 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 6