REMARK  Name = BDB021562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.756  -1.224   1.924  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1  12
ATOM      2  C   LIG    1       -5.949   0.514   2.018  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -4.617   0.369   1.432  0.00  0.00    -0.331 N 
ATOM      4  C   LIG    1       -4.496   0.396   0.037  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -3.451  -0.291  -0.625  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1       -3.365  -0.313  -2.028  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -4.300   0.367  -2.802  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -5.326   1.058  -2.170  0.00  0.00    +0.020 A 
ATOM      9 BR   LIG    1       -6.604   1.989  -3.209  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1       -2.420  -1.073   0.109  0.00  0.00    +0.249 C 
ATOM     11  O   LIG    1       -2.089  -2.173  -0.333  0.00  0.00    -0.270 OA
ATOM     12  N   LIG    1       -1.819  -0.498   1.226  0.00  0.00    -0.293 N 
ATOM     13  C   LIG    1       -2.124   0.873   1.624  0.00  0.00    +0.127 C 
ATOM     14  C   LIG    1       -5.429   1.070  -0.774  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -3.538   1.026   2.198  0.00  0.00    +0.123 C 
ENDBRANCH   1  12
BRANCH   1  16
ATOM     16  C   LIG    1        0.685  -0.806   1.543  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1        0.952   0.509   2.056  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        1.014   0.429   3.023  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        0.942  -0.857   0.016  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.336  -0.777  -0.467  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        2.995   0.496  -0.142  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        4.414   0.574  -0.675  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        5.137  -0.596  -0.971  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        6.460  -0.501  -1.424  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.070   0.745  -1.559  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.363   1.905  -1.248  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.465  -1.943  -0.866  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        5.043   1.821  -0.806  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.170  -1.903  -0.041  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5