REMARK  Name = BDB058577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.072  -0.535   0.721  0.00  0.00    +0.195 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.139   0.951   0.482  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.924   1.576  -0.553  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -0.800   2.957  -0.402  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.419   3.884  -1.251  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.205   3.382  -2.289  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -2.370   2.014  -2.468  0.00  0.00    +0.021 A 
ATOM      8 CL   LIG    1       -2.987   4.480  -3.361  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1       -0.007   3.170   0.693  0.00  0.00    -0.349 N 
ATOM     10  H   LIG    1        0.246   4.076   1.065  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -1.740   1.107  -1.606  0.00  0.00    +0.012 A 
ATOM     12  CA  LIG    1        0.375   1.985   1.273  0.00  0.00    +0.131 A 
BRANCH  12  13
ATOM     13  C   LIG    1        1.161   1.937   2.477  0.00  0.00    +0.354 C 
ATOM     14  O   LIG    1        1.531   0.961   3.111  0.00  0.00    -0.243 OA
BRANCH  13  15
ATOM     15  OXT LIG    1        1.483   3.183   2.888  0.00  0.00    -0.476 OA
ATOM     16  HXT LIG    1        2.007   3.014   3.699  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   1   2
BRANCH   1  19
ATOM     17  N   LIG    1       -1.514  -2.327  -0.044  0.00  0.00    -0.309 N 
ATOM     18  H   LIG    1       -1.026  -2.204  -0.930  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -1.280  -1.313   0.861  0.00  0.00    +0.239 C 
ATOM     20  O   LIG    1       -2.093  -1.010   1.737  0.00  0.00    -0.273 OA
BRANCH  17  22
ATOM     21  C   LIG    1       -2.565  -4.174  -1.225  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -2.752  -3.116  -0.121  0.00  0.00    +0.026 C 
ATOM     23  C   LIG    1       -3.031  -3.853   1.200  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -3.948  -2.227  -0.494  0.00  0.00    +0.031 C 
ENDBRANCH  17  22
ENDBRANCH   1  19
BRANCH   1  25
ATOM     25  N   LIG    1        1.184  -1.058  -0.116  0.00  0.00    -0.284 N 
ATOM     26  C   LIG    1        1.049  -1.354  -1.453  0.00  0.00    +0.329 C 
ATOM     27  O   LIG    1       -0.003  -1.420  -2.073  0.00  0.00    -0.279 OA
BRANCH  25  28
ATOM     28  C   LIG    1        2.522  -1.112   0.468  0.00  0.00    +0.143 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.319   0.176   0.414  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        3.201   1.107  -0.630  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1        3.973   2.272  -0.641  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        4.886   2.510   0.382  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        5.828   3.948   0.373  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        5.039   1.588   1.413  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        4.264   0.426   1.425  0.00  0.00    +0.006 A 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 8