REMARK  Name = BDB053483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.248  -0.099  -0.358  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1        1.602   1.312  -0.287  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1        0.625   2.273  -0.275  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        1.274   3.487  -0.219  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        2.620   3.163  -0.191  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -0.698   1.889  -0.313  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -0.987   0.572  -0.350  0.00  0.00    +0.144 A 
ATOM      8  N   LIG    1        2.821   1.806  -0.232  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1       -0.021  -0.429  -0.374  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -2.465   0.253  -0.408  0.00  0.00    +0.266 C 
ATOM     11  N   LIG    1       -2.931  -0.856   0.263  0.00  0.00    -0.296 N 
ATOM     12  C   LIG    1       -2.187  -1.756   1.133  0.00  0.00    +0.108 C 
ATOM     13  C   LIG    1       -3.206  -2.799   1.576  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -4.523  -2.039   1.526  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -4.352  -1.151   0.303  0.00  0.00    +0.108 C 
ATOM     16  O   LIG    1       -3.225   1.013  -1.013  0.00  0.00    -0.268 OA
ENDBRANCH   7  10
BRANCH   4  17
ATOM     17  C   LIG    1        0.690   4.923  -0.189  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        1.444   6.071  -0.121  0.00  0.00    +0.115 A 
ATOM     19  N   LIG    1        0.558   7.109  -0.114  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        0.753   8.104  -0.073  0.00  0.00    +0.188 HD
ATOM     21  N   LIG    1       -0.723   6.714  -0.171  0.00  0.00    -0.182 NA
ATOM     22  C   LIG    1       -0.641   5.381  -0.222  0.00  0.00    +0.144 A 
ENDBRANCH   4  17
BRANCH   1  23
ATOM     23  N   LIG    1        2.286  -1.017  -0.397  0.00  0.00    -0.290 N 
ATOM     24  H   LIG    1        3.189  -0.553  -0.305  0.00  0.00    +0.154 HD
BRANCH  23  29
ATOM     25  C   LIG    1        4.039  -5.680  -0.879  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1        3.084  -4.541  -0.844  0.00  0.00    +0.049 A 
ATOM     27  N   LIG    1        1.797  -4.785  -1.082  0.00  0.00    -0.214 NA
ATOM     28  S   LIG    1        0.958  -3.362  -0.996  0.00  0.00    +0.027 S 
ATOM     29  C   LIG    1        2.296  -2.358  -0.607  0.00  0.00    +0.091 A 
ATOM     30  C   LIG    1        3.414  -3.175  -0.572  0.00  0.00    +0.055 A 
ENDBRANCH  23  29
ENDBRANCH   1  23
TORSDOF 4