REMARK  Name = BDB006614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.977  -1.102  -1.950  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.052  -1.746  -0.990  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.766  -1.352  -0.608  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.711  -0.343  -0.830  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.372  -0.849   0.083  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.045  -2.026   0.779  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1        0.553  -2.705   1.595  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.356  -2.277   0.300  0.00  0.00    +0.129 A 
ATOM      9  N   LIG    1       -2.351  -3.167   0.458  0.00  0.00    -0.262 N 
ATOM     10  C   LIG    1       -2.393  -4.327   1.311  0.00  0.00    +0.173 C 
ATOM     11  N   LIG    1       -3.415  -2.868  -0.334  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.634  -0.257   0.180  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1        2.584  -0.671   1.040  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1        3.832  -0.071   1.133  0.00  0.00    -0.316 N 
ATOM     15  C   LIG    1        4.777  -0.600   2.105  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        4.203   1.013   0.346  0.00  0.00    +0.254 A 
ATOM     17  O   LIG    1        5.295   1.574   0.406  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1        3.170   1.488  -0.624  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        3.547   2.648  -1.490  0.00  0.00    +0.049 C 
ATOM     20  C   LIG    1        1.978   0.869  -0.679  0.00  0.00    +0.033 A 
ENDBRANCH   5  12
BRANCH   4  21
ATOM     21  C   LIG    1       -1.326   0.989  -0.441  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -1.780   1.856  -1.452  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -2.355   3.089  -1.132  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.484   3.469   0.201  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -3.192   4.987   0.593  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -2.045   2.626   1.217  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -1.470   1.392   0.899  0.00  0.00    +0.007 A 
ENDBRANCH   4  21
TORSDOF 2