REMARK  Name = BDB022206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.462   4.776   1.091  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.910   3.518   0.514  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1       -0.015   2.414   0.409  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.459   1.209  -0.168  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        0.476   0.166  -0.351  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.812   0.268   0.065  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.212   1.450   0.682  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.879   1.061  -0.597  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -2.650   2.154  -0.522  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        1.316   2.512   0.843  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -2.201   3.452   0.020  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -3.000   4.387   0.025  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.664  -0.841  -0.112  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        2.401  -1.401  -0.922  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.832  -1.250   0.571  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        4.841  -1.983  -0.084  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        5.985  -2.317   0.634  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        7.295  -3.212  -0.038  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1        6.210  -1.986   1.927  0.00  0.00    -0.227 NA
ATOM     20  CA  LIG    1        5.222  -1.279   2.532  0.00  0.00    +0.151 A 
ATOM     21  C   LIG    1        4.043  -0.896   1.910  0.00  0.00    +0.059 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.699  -2.378  -1.450  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        4.528  -2.693  -2.553  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
BRANCH  20  24
ATOM     24  C   LIG    1        5.473  -0.916   3.956  0.00  0.00    +0.355 C 
ATOM     25  O   LIG    1        4.707  -0.275   4.651  0.00  0.00    -0.243 OA
BRANCH  24  26
ATOM     26  OXT LIG    1        6.671  -1.393   4.368  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1        7.114  -1.875   3.631  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  N   LIG    1       -2.289  -0.203  -1.021  0.00  0.00    -0.338 N 
ATOM     29  H   LIG    1       -1.867  -0.927  -0.444  0.00  0.00    +0.147 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.573  -0.640  -1.593  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1       -3.486  -2.157  -1.866  0.00  0.00    +0.025 C 
ATOM     32  C   LIG    1       -3.763  -2.833  -0.522  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1       -4.481  -1.795   0.336  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -4.714  -0.589  -0.572  0.00  0.00    +0.025 C 
ATOM     35  C   LIG    1       -3.872   0.101  -2.897  0.00  0.00    +0.031 C 
ENDBRANCH  28  30
ENDBRANCH   8  28
TORSDOF 7