REMARK  Name = BDB057036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.830   2.187  -1.734  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -1.213   0.955  -0.966  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -0.160   0.121  -0.624  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1       -0.387  -0.981   0.053  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1       -1.758  -1.299   0.423  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1       -2.781  -0.456   0.069  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -3.938  -1.024   0.556  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -3.521  -2.189   1.179  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1       -2.161  -2.357   1.093  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -2.495   0.695  -0.641  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -5.403  -0.526   0.463  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -6.488  -1.185   0.993  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1       -7.580  -0.421   0.695  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1       -8.552  -0.596   0.928  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1       -7.279   0.690   0.006  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1       -5.951   0.625  -0.134  0.00  0.00    +0.144 A 
ENDBRANCH   7  11
BRANCH   4  17
ATOM     17  N   LIG    1        0.616  -1.855   0.430  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1        0.254  -2.659   0.941  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.955  -1.798   0.231  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1        3.005  -3.038   0.794  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1        4.411  -2.369   0.234  0.00  0.00    -0.212 NA
ATOM     22  C   LIG    1        4.130  -1.210  -0.365  0.00  0.00    +0.073 A 
ATOM     23  C   LIG    1        2.740  -0.851  -0.396  0.00  0.00    +0.058 A 
BRANCH  22  24
ATOM     24  C   LIG    1        5.246  -0.414  -0.959  0.00  0.00    +0.199 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.454   0.818  -0.212  0.00  0.00    -0.266 N 
ATOM     26  N   LIG    1        5.037   1.999  -0.719  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        5.407   2.888   0.205  0.00  0.00    +0.134 A 
ATOM     28  C   LIG    1        6.074   2.291   1.290  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        6.098   0.950   0.989  0.00  0.00    +0.109 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5