REMARK  Name = BDB030797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.322   4.641  -1.160  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.309   3.385  -0.775  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1        0.494   2.268  -0.413  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.121   1.060  -0.049  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        0.705  -0.058   0.214  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.106   0.012   0.184  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.689   1.231  -0.144  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.605   0.979   0.012  0.00  0.00    +0.047 A 
ATOM      9  N   LIG    1       -2.190  -0.173   0.537  0.00  0.00    -0.338 N 
ATOM     10  H   LIG    1       -1.556  -0.760   1.065  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1       -3.186  -0.953  -0.212  0.00  0.00    +0.099 C 
ATOM     12  C   LIG    1       -4.533  -0.215  -0.278  0.00  0.00    +0.182 C 
ATOM     13  O   LIG    1       -4.450   0.990  -1.046  0.00  0.00    -0.373 OA
ATOM     14  C   LIG    1       -3.843   2.069  -0.325  0.00  0.00    +0.202 C 
ATOM     15  C   LIG    1       -2.338   2.036  -0.389  0.00  0.00    +0.064 A 
ATOM     16  C   LIG    1        1.897   2.343  -0.440  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -1.694   3.312  -0.820  0.00  0.00    +0.259 A 
ATOM     18  O   LIG    1       -2.393   4.265  -1.167  0.00  0.00    -0.267 OA
ENDROOT
BRANCH  11  19
ATOM     19  C   LIG    1       -3.245  -2.331   0.414  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1       -3.627  -2.514   1.867  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1       -4.519  -3.058   0.787  0.00  0.00    +0.006 C 
ENDBRANCH  11  19
BRANCH   6  22
ATOM     22  N   LIG    1        2.850  -1.159   0.424  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        2.385  -1.794   1.072  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.154  -1.540   0.030  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        4.952  -2.369   0.841  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        6.238  -2.667   0.408  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1        7.323  -3.667   1.298  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1        6.780  -2.213  -0.744  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1        6.003  -1.424  -1.507  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        4.710  -1.064  -1.165  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1        4.455  -2.890   2.074  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        3.989  -3.300   3.054  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 4