REMARK  Name = BDB015877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.088   0.319   0.049  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.145   0.228   0.588  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.154   0.908   0.003  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -0.932   1.711  -1.116  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.366   1.735  -1.588  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        1.389   1.054  -1.035  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.544  -1.135   0.779  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.494  -0.420   0.179  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.179  -0.441   0.693  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.954  -1.216   1.846  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.985  -1.934   2.455  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.273  -1.894   1.922  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        9.485  -1.193   0.258  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        8.068  -1.112  -0.000  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        7.638  -0.877  -1.252  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.308  -0.858  -1.124  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.879  -1.087   0.206  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        7.058  -1.244   0.908  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -1.952   2.502  -1.769  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -1.925   3.878  -1.862  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -3.049   4.232  -2.550  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -3.479   5.567  -2.884  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -3.793   3.181  -2.938  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.124   2.127  -2.459  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.437   0.846   0.588  0.00  0.00    -0.327 N 
ATOM     26  H   LIG    1       -3.100   0.589  -0.150  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.577  -0.032   1.754  0.00  0.00    +0.122 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.738  -1.516   1.373  0.00  0.00    +0.126 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.077  -1.855   0.898  0.00  0.00    -0.300 N 
ATOM     30  C   LIG    1       -4.567  -1.468  -0.342  0.00  0.00    +0.216 C 
ATOM     31  O   LIG    1       -3.931  -0.924  -1.230  0.00  0.00    -0.276 OA
ATOM     32  C   LIG    1       -6.050  -1.745  -0.368  0.00  0.00    +0.097 C 
ATOM     33  C   LIG    1       -6.263  -2.614   0.866  0.00  0.00    +0.028 C 
ATOM     34  C   LIG    1       -5.150  -2.186   1.801  0.00  0.00    +0.108 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 7