REMARK  Name = BDB006685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.299   1.659   2.435  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.913   0.505   1.591  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.644   0.133   1.137  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.210   0.482   1.179  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.384  -0.646   0.380  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.629  -1.532  -0.098  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.534  -2.539  -0.777  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.838  -0.997   0.406  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -3.159  -1.263   0.394  0.00  0.00    -0.251 N 
ATOM     10  N   LIG    1       -3.845  -0.369   1.156  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.758  -0.810   0.188  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.290  -1.787  -0.571  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        3.656  -1.938  -0.760  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        4.116  -3.028  -1.607  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.592  -1.087  -0.182  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        5.807  -1.185  -0.331  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        4.028   0.003   0.672  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        5.013   0.929   1.312  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        2.697   0.103   0.828  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -0.106   1.858   0.549  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -0.132   2.057  -0.844  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -0.038   3.342  -1.385  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.081   4.443  -0.542  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.196   6.024  -1.208  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        0.105   4.271   0.839  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.012   2.987   1.382  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1       -3.775  -2.447  -0.209  0.00  0.00    +0.159 C 
ATOM     28  C   LIG    1       -5.239  -2.248  -0.609  0.00  0.00    +0.189 C 
ATOM     29  O   LIG    1       -4.964  -2.738  -1.950  0.00  0.00    -0.375 OA
ATOM     30  C   LIG    1       -3.542  -2.564  -1.716  0.00  0.00    +0.189 C 
ENDBRANCH   9  27
TORSDOF 3