REMARK  Name = BDB061618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.181   2.851   0.337  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.254   1.356   0.459  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -2.209   0.601  -0.244  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.197  -0.801  -0.187  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -3.124  -1.647  -1.010  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -1.300  -1.435   0.686  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -0.395  -0.697   1.460  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -0.368   0.697   1.324  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1       -3.082   1.257  -1.067  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -4.402   1.538  -0.550  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -4.684   3.013  -0.879  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -4.618   1.331   0.961  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -5.431   0.701  -1.327  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -6.342   0.036  -0.855  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.278   0.751  -2.669  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -5.984   0.167  -3.014  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   7  17
ATOM     17  C   LIG    1        0.578  -1.397   2.377  0.00  0.00    +0.184 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.797  -1.762   1.696  0.00  0.00    -0.208 N 
ATOM     19  C   LIG    1        2.923  -0.941   1.545  0.00  0.00    +0.351 A 
ATOM     20  O   LIG    1        3.064   0.158   2.063  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1        3.776  -1.645   0.710  0.00  0.00    -0.250 N 
ATOM     22  C   LIG    1        3.101  -2.781   0.416  0.00  0.00    +0.230 A 
ATOM     23  N   LIG    1        1.931  -2.910   0.958  0.00  0.00    -0.157 NA
BRANCH  21  24
ATOM     24  C   LIG    1        5.058  -1.260   0.247  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        5.640  -0.040   0.627  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        6.909   0.341   0.170  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        7.619  -0.498  -0.679  0.00  0.00    +0.018 A 
ATOM     28 BR   LIG    1        9.329   0.010  -1.298  0.00  0.00    -0.050 Br
ATOM     29  C   LIG    1        7.071  -1.712  -1.073  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        5.801  -2.088  -0.613  0.00  0.00    +0.027 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 7