REMARK  Name = BDB016953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.463  -1.210   0.755  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -0.729  -2.338   1.503  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -2.024  -2.931   1.732  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1        0.449  -2.811   2.002  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1        1.462  -2.067   1.627  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.918  -1.059   0.846  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.505   1.014  -1.231  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.861  -0.035  -1.891  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -1.858  -0.760  -1.242  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -1.494  -0.441   0.071  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.139   0.614   0.727  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -3.142   1.339   0.078  0.00  0.00    +0.017 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.392   2.380  -2.454  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -4.531   1.757  -1.896  0.00  0.00    -0.070 C 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   6  15
ATOM     15  C   LIG    1        1.744  -0.017   0.237  0.00  0.00    +0.092 A 
ATOM     16  N   LIG    1        1.125   0.930  -0.512  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1        1.885   1.892  -1.075  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        3.256   1.966  -0.931  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        3.880   0.988  -0.159  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        3.118  -0.019   0.434  0.00  0.00    +0.045 A 
BRANCH  19  21
ATOM     21  C   LIG    1        5.345   0.980   0.055  0.00  0.00    +0.337 C 
ATOM     22  O   LIG    1        5.970   0.168   0.711  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        5.965   1.998  -0.567  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1        6.910   1.866  -0.340  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   6  15
TORSDOF 5