REMARK  Name = BDB012272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.900  -0.540  -0.336  0.00  0.00    +0.158 A 
ATOM      2  N   LIG    1        1.244  -1.854  -0.508  0.00  0.00    -0.236 NA
ATOM      3  C   LIG    1        2.561  -2.144  -0.584  0.00  0.00    +0.114 A 
ATOM      4  C   LIG    1        3.560  -1.194  -0.497  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        3.189   0.140  -0.322  0.00  0.00    +0.064 A 
ATOM      6  C   LIG    1        1.838   0.481  -0.239  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -3.104   2.162   0.116  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1       -2.266   0.949  -0.058  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1       -2.705  -0.392  -0.209  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -4.100  -0.891  -0.229  0.00  0.00    +0.051 C 
ATOM     11  C   LIG    1       -1.546  -1.128  -0.335  0.00  0.00    +0.220 A 
ATOM     12  N   LIG    1       -0.492  -0.222  -0.255  0.00  0.00    -0.182 N 
ATOM     13  N   LIG    1       -0.933   1.052  -0.086  0.00  0.00    -0.167 NA
BRANCH  11  14
ATOM     14  O   LIG    1       -1.389  -2.444  -0.501  0.00  0.00    -0.492 OA
ATOM     15  H   LIG    1       -0.423  -2.624  -0.552  0.00  0.00    +0.294 HD
ENDBRANCH  11  14
ENDBRANCH   1  12
BRANCH   5  16
ATOM     16  C   LIG    1        4.264   1.154  -0.230  0.00  0.00    +0.337 C 
ATOM     17  O   LIG    1        5.457   0.926  -0.294  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        3.792   2.400  -0.063  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        4.595   2.961  -0.018  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   5  16
TORSDOF 4