REMARK  Name = BDB012336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.975  -2.250  -0.517  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.228  -2.159   0.204  0.00  0.00    +0.219 A 
ATOM      3  C   LIG    1        0.598  -3.459   0.490  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -0.395  -4.266  -0.071  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -1.343  -3.560  -0.676  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -2.325   1.096  -1.491  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -1.479   0.130  -0.935  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -1.810  -1.211  -1.070  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1       -2.939  -1.591  -1.734  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -3.738  -0.640  -2.261  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -3.477   0.709  -2.168  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -2.702   3.448  -1.831  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -2.026   2.543  -1.380  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -0.887   2.774  -0.705  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -0.783   3.750  -0.688  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        0.801  -0.984   0.494  0.00  0.00    -0.476 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.022  -1.030   1.232  0.00  0.00    +0.234 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.524   0.389   1.468  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.654   1.345   0.253  0.00  0.00    +0.082 C 
ATOM     20  C   LIG    1        2.264   2.498   1.210  0.00  0.00    +0.250 C 
ATOM     21  F   LIG    1        1.475   3.463   0.688  0.00  0.00    -0.206 F 
ATOM     22  F   LIG    1        3.303   3.125   1.807  0.00  0.00    -0.206 F 
ATOM     23  C   LIG    1        1.553   1.432   2.079  0.00  0.00    +0.082 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6