REMARK  Name = BDB013976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.780  -0.715  -0.648  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.134  -0.365   0.529  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -0.155   0.594   1.257  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        1.287  -1.125   0.729  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        1.418  -2.477   0.261  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        1.128  -2.891  -1.054  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        1.321  -4.251  -1.399  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        1.766  -5.192  -0.475  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        2.031  -4.793   0.822  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.690  -2.016  -2.207  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1        1.859  -3.455   1.181  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.078  -0.660  -1.904  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.005   0.087  -1.398  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -1.843   0.289  -0.693  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1       -1.768   1.046  -0.020  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -3.158  -0.889  -2.134  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -4.063   1.217  -1.281  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -4.405   1.533   0.172  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -5.936   1.875  -2.687  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -5.298   0.781  -1.971  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -5.036   0.047  -2.640  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1        2.235  -0.634   1.746  0.00  0.00    +0.151 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.910   0.679   1.368  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        2.672   1.898   2.085  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        3.355   3.072   1.681  0.00  0.00    +0.160 A 
ATOM     26  N   LIG    1        3.195   4.240   2.299  0.00  0.00    -0.236 NA
ATOM     27  C   LIG    1        2.349   4.326   3.343  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        1.627   3.260   3.822  0.00  0.00    +0.020 A 
ATOM     29  N   LIG    1        4.206   3.069   0.660  0.00  0.00    -0.234 NA
ATOM     30  C   LIG    1        4.427   1.917  -0.003  0.00  0.00    +0.133 A 
ATOM     31  C   LIG    1        1.793   2.037   3.186  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        3.823   0.713   0.305  0.00  0.00    +0.064 A 
ATOM     33 CL   LIG    1        4.266  -0.668  -0.625  0.00  0.00    -0.082 Cl
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5