REMARK  Name = BDB051300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.346   1.118  -0.467  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1        1.762   0.914  -0.248  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        2.349   2.183  -0.202  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        3.710   2.399   0.037  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        4.514   1.282   0.247  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.976  -0.005   0.195  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        4.899  -1.154   0.438  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1        6.055  -0.997   0.812  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1        4.397  -2.415   0.223  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        5.096  -3.147   0.268  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1        3.193  -2.614  -0.542  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        2.097  -1.653  -0.103  0.00  0.00    +0.055 C 
ATOM     13  N   LIG    1        1.358   3.107  -0.425  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1        1.505   4.106  -0.454  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1        2.599  -0.226  -0.073  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1        0.156   2.482  -0.588  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -0.713   0.053  -0.551  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.161   0.563  -0.469  0.00  0.00    +0.086 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.102  -0.564  -0.492  0.00  0.00    -0.313 NA
ATOM     20  H   LIG    1       -2.959  -1.147   0.333  0.00  0.00    +0.122 HD
BRANCH  19  22
ATOM     21  C   LIG    1       -5.346  -1.373  -0.908  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1       -4.506  -0.141  -0.564  0.00  0.00    +0.047 C 
ATOM     23  C   LIG    1       -5.002   0.474   0.746  0.00  0.00    +0.023 C 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4