REMARK  Name = BDB012335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.125  -0.882   1.565  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -1.498  -0.666   1.399  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1       -2.199  -1.055   2.510  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1       -1.274  -1.510   3.350  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        0.020  -1.431   2.824  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.179  -0.121   0.259  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1       -1.463   0.242  -0.840  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1       -2.129   0.755  -1.895  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1       -3.498   0.929  -1.924  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.225   0.552  -0.798  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -3.564   0.019   0.311  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -5.697   0.699  -0.735  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -6.407   0.396   0.205  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -6.215   1.222  -1.861  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -7.178   1.261  -1.678  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.745  -0.565   0.598  0.00  0.00    -0.468 OA
BRANCH  16  18
ATOM     17  C   LIG    1        2.486  -2.243   0.448  0.00  0.00    +0.057 C 
ATOM     18  C   LIG    1        2.137  -0.803   0.825  0.00  0.00    +0.202 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.946   0.164  -0.030  0.00  0.00    -0.007 A 
ATOM     20  C   LIG    1        2.486   0.589  -1.289  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        3.250   1.460  -2.068  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        4.477   1.904  -1.595  0.00  0.00    +0.123 A 
ATOM     23  F   LIG    1        5.211   2.739  -2.343  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        4.957   1.494  -0.357  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        4.195   0.624   0.425  0.00  0.00    +0.010 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6