REMARK  Name = BDB001699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.265   0.779   0.807  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1        3.849   0.424   0.509  0.00  0.00    -0.010 A 
ATOM      3  S   LIG    1        2.614   1.599   0.705  0.00  0.00    -0.074 S 
ATOM      4  C   LIG    1        1.406   0.508   0.206  0.00  0.00    +0.119 A 
ATOM      5  C   LIG    1        1.922  -0.721  -0.102  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1        1.001  -1.743  -0.536  0.00  0.00    +0.348 A 
ATOM      7  O   LIG    1       -0.318  -1.381  -0.605  0.00  0.00    -0.403 OA
ATOM      8  C   LIG    1       -0.663  -0.105  -0.285  0.00  0.00    +0.233 A 
ATOM      9  O   LIG    1        1.365  -2.878  -0.823  0.00  0.00    -0.244 OA
ATOM     10  N   LIG    1        0.103   0.852   0.134  0.00  0.00    -0.204 NA
ATOM     11  C   LIG    1        3.336  -0.780   0.070  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -2.119   0.046  -0.413  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -2.799  -0.135  -1.623  0.00  0.00    +0.030 A 
ATOM     14 BR   LIG    1       -1.913  -0.524  -3.256  0.00  0.00    -0.050 Br
ATOM     15  C   LIG    1       -4.189   0.018  -1.663  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -4.893   0.359  -0.506  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.213   0.559   0.694  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.827   0.408   0.743  0.00  0.00    +0.014 A 
ENDBRANCH   8  12
TORSDOF 1