REMARK  Name = BDB022278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.759  -0.922  -0.978  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.268  -0.945  -0.900  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.480  -1.685  -1.833  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.882  -1.658  -1.758  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.541  -0.936  -0.758  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.822  -0.237   0.207  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.192  -2.469  -2.815  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        0.567  -3.254  -3.776  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -1.573  -2.555  -2.850  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -2.209  -3.256  -3.635  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.422  -0.251   0.119  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.326  -1.719  -1.892  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.421  -0.056  -0.108  0.00  0.00    -0.336 N 
ATOM     14  H   LIG    1       -1.943   0.845  -0.091  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.864   0.107   0.185  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1       -4.508  -1.228   0.590  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -4.588   0.731  -1.016  0.00  0.00    +0.033 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.974   1.083   1.403  0.00  0.00    +0.184 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -5.437   2.209   2.874  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1       -5.336   1.353   1.744  0.00  0.00    -0.381 OA
ENDBRANCH  18  20
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1        2.429   0.521   1.229  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        1.847   0.573   2.064  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.709   1.111   1.330  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1        4.339   1.278   2.580  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1        5.618   1.826   2.607  0.00  0.00    +0.149 A 
ATOM     26 CL   LIG    1        6.502   2.089   4.061  0.00  0.00    -0.061 Cl
ATOM     27  N   LIG    1        6.314   2.214   1.514  0.00  0.00    -0.227 NA
ATOM     28  CA  LIG    1        5.684   2.042   0.324  0.00  0.00    +0.151 A 
ATOM     29  C   LIG    1        4.412   1.507   0.185  0.00  0.00    +0.059 A 
BRANCH  24  30
ATOM     30  C   LIG    1        3.684   0.899   3.792  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1        3.101   0.596   4.748  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
BRANCH  28  32
ATOM     32  C   LIG    1        6.454   2.471  -0.877  0.00  0.00    +0.355 C 
ATOM     33  O   LIG    1        6.053   2.381  -2.023  0.00  0.00    -0.243 OA
BRANCH  32  34
ATOM     34  OXT LIG    1        7.661   2.971  -0.521  0.00  0.00    -0.476 OA
ATOM     35  HXT LIG    1        7.764   2.938   0.459  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  28  32
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 9