REMARK  Name = BDB029285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.595   1.167  -1.444  0.00  0.00    +0.195 C 
ATOM      2  C   LIG    1       -1.622   0.079  -1.127  0.00  0.00    +0.252 C 
ATOM      3  O   LIG    1       -0.965  -1.168  -1.472  0.00  0.00    -0.345 OA
ATOM      4  C   LIG    1       -0.081  -0.871  -2.591  0.00  0.00    +0.185 C 
ATOM      5  C   LIG    1       -0.049   0.650  -2.767  0.00  0.00    +0.179 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -2.052   0.055   0.262  0.00  0.00    -0.303 N 
ATOM      7  C   LIG    1       -3.200   0.663   0.716  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -3.279   0.463   2.088  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -4.388   1.028   2.697  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -5.313   1.716   2.011  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1       -5.106   1.830   0.690  0.00  0.00    +0.225 A 
ATOM     12 CL   LIG    1       -4.593   0.846   4.371  0.00  0.00    -0.061 Cl
ATOM     13  C   LIG    1       -2.141  -0.301   2.462  0.00  0.00    +0.032 A 
ATOM     14  N   LIG    1       -4.089   1.335  -0.039  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -1.408  -0.540   1.319  0.00  0.00    +0.091 A 
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1       -1.136   2.476  -1.594  0.00  0.00    -0.385 OA
ATOM     17  H   LIG    1       -1.609   2.471  -2.452  0.00  0.00    +0.210 HD
ENDBRANCH   1  16
BRANCH   5  18
ATOM     18  O   LIG    1       -0.980   1.048  -3.797  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1       -0.599   0.792  -4.658  0.00  0.00    +0.210 HD
ENDBRANCH   5  18
BRANCH   4  20
ATOM     20  C   LIG    1        1.291  -1.555  -2.394  0.00  0.00    +0.176 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.141  -1.031  -1.254  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1        2.018  -1.548   0.046  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        2.792  -0.995   1.040  0.00  0.00    -0.044 A 
ATOM     24  C   LIG    1        3.120  -1.060   2.503  0.00  0.00    +0.040 C 
ATOM     25  C   LIG    1        4.128   0.104   2.224  0.00  0.00    +0.040 C 
ATOM     26  C   LIG    1        3.678   0.022   0.795  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1        3.853   0.546  -0.461  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        3.078   0.008  -1.493  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
BRANCH  20  29
ATOM     29  O   LIG    1        1.085  -2.964  -2.235  0.00  0.00    -0.385 OA
ATOM     30  H   LIG    1        0.250  -3.061  -1.738  0.00  0.00    +0.210 HD
ENDBRANCH  20  29
ENDBRANCH   4  20
TORSDOF 6