REMARK  Name = BDB031558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.862  -2.156   0.613  0.00  0.00    +0.204 C 
ATOM      2  C   LIG    1        0.254  -2.952   1.361  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1        0.670  -4.250   0.679  0.00  0.00    +0.028 C 
ATOM      4  N   LIG    1        1.132  -1.765   1.215  0.00  0.00    -0.288 NA
ATOM      5  C   LIG    1        0.307  -1.277   0.093  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  O   LIG    1       -1.847  -1.528   1.471  0.00  0.00    -0.484 OA
BRANCH   6  10
ATOM      7  C   LIG    1       -4.629   1.177   0.122  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -4.406   1.039   1.451  0.00  0.00    -0.247 NA
ATOM      9  C   LIG    1       -3.471   0.131   1.816  0.00  0.00    +0.157 A 
ATOM     10  C   LIG    1       -2.745  -0.651   0.924  0.00  0.00    +0.139 A 
ATOM     11  C   LIG    1       -2.999  -0.493  -0.434  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -3.955   0.438  -0.847  0.00  0.00    +0.036 A 
BRANCH   7  16
ATOM     13  C   LIG    1       -7.642   2.619  -1.657  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1       -6.523   1.785  -1.295  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -6.591   0.796  -1.496  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -5.663   2.184  -0.280  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1       -5.737   3.278   0.268  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   4  18
ATOM     18  C   LIG    1        2.509  -2.044   0.820  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.328  -0.779   0.728  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1        3.884  -0.350  -0.483  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        4.634   0.820  -0.502  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1        4.811   1.528   0.687  0.00  0.00    +0.089 A 
ATOM     23  C   LIG    1        5.598   2.755   0.675  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        6.143   3.192  -0.468  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1        5.962   2.441  -1.754  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1        6.446   2.807  -2.820  0.00  0.00    -0.266 OA
ATOM     27 CL   LIG    1        7.077   4.639  -0.505  0.00  0.00    -0.078 Cl
ATOM     28  N   LIG    1        4.292   1.142   1.870  0.00  0.00    -0.253 NA
ATOM     29  N   LIG    1        5.210   1.289  -1.689  0.00  0.00    -0.320 N 
ATOM     30  H   LIG    1        5.093   0.789  -2.560  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1        3.558   0.004   1.861  0.00  0.00    +0.116 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5