REMARK  Name = BDB005613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.914   0.329   0.114  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.242  -0.112   1.260  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.154  -0.226   1.268  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -0.929   0.103   0.142  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -2.403  -0.075   0.239  0.00  0.00    +0.048 A 
ATOM      6  N   LIG    1       -3.198   0.193  -0.869  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -2.672   0.165  -1.744  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -4.564  -0.297  -0.954  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -5.248  -0.078   0.391  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -4.442  -0.719   1.528  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.956  -0.514   1.387  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -2.121  -0.843   2.571  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -2.611  -1.250   3.620  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.240   0.576  -0.992  0.00  0.00    +0.131 A 
ATOM     15  N   LIG    1       -0.773  -0.683   2.436  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -0.220  -0.922   3.247  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        1.160   0.664  -1.015  0.00  0.00    +0.051 A 
ENDROOT
BRANCH  14  18
ATOM     18  O   LIG    1       -0.907   0.911  -2.148  0.00  0.00    -0.494 OA
ATOM     19  C   LIG    1       -1.058   2.333  -2.224  0.00  0.00    +0.277 C 
ENDBRANCH  14  18
BRANCH   1  20
ATOM     20  C   LIG    1        3.421   0.429   0.101  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.024  -0.895   0.227  0.00  0.00    -0.312 NA
ATOM     22  H   LIG    1        3.707  -1.483  -0.543  0.00  0.00    +0.122 HD
BRANCH  21  24
ATOM     23  C   LIG    1        6.112  -0.597  -1.103  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1        5.484  -0.855   0.260  0.00  0.00    +0.078 C 
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 4