REMARK  Name = BDB057033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.508   0.616  -0.404  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1       -2.833   0.293  -0.914  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -3.665  -0.532  -0.201  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -4.825  -0.642  -0.936  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -4.605   0.139  -2.058  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -3.232  -1.052   1.003  0.00  0.00    +0.116 A 
ATOM      7  C   LIG    1       -1.999  -0.732   1.444  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -1.467  -1.262   2.745  0.00  0.00    +0.067 C 
ATOM      9  N   LIG    1       -3.361   0.720  -2.041  0.00  0.00    -0.232 NA
ATOM     10  N   LIG    1       -1.135   0.099   0.746  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -6.119  -1.440  -0.632  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -7.226  -1.475  -1.449  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1       -8.133  -2.282  -0.827  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1       -9.065  -2.539  -1.137  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1       -7.692  -2.776   0.341  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1       -6.464  -2.261   0.457  0.00  0.00    +0.144 A 
ENDBRANCH   4  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.701   1.451  -1.154  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1       -1.150   1.749  -2.018  0.00  0.00    +0.154 HD
BRANCH  17  22
ATOM     19  C   LIG    1        2.671   2.362  -0.053  0.00  0.00    +0.058 A 
ATOM     20  N   LIG    1        2.759   3.097  -1.163  0.00  0.00    -0.213 NA
ATOM     21  S   LIG    1        1.365   2.935  -2.034  0.00  0.00    +0.027 S 
ATOM     22  C   LIG    1        0.554   1.905  -0.923  0.00  0.00    +0.091 A 
ATOM     23  C   LIG    1        1.414   1.692   0.137  0.00  0.00    +0.056 A 
BRANCH  19  24
ATOM     24  C   LIG    1        3.818   2.349   0.912  0.00  0.00    +0.111 C 
BRANCH  24  28
ATOM     25  C   LIG    1        7.893   0.502  -1.039  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1        6.603   0.250  -0.319  0.00  0.00    +0.039 A 
ATOM     27  N   LIG    1        5.832   1.325  -0.033  0.00  0.00    -0.256 NA
ATOM     28  C   LIG    1        4.647   1.125   0.601  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1        4.230  -0.148   0.992  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1        5.036  -1.243   0.697  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        6.238  -1.045   0.029  0.00  0.00    +0.023 A 
ENDBRANCH  24  28
ENDBRANCH  19  24
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 5