REMARK  Name = BDB051879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.997   0.316  -0.969  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.932   1.002  -1.570  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.352   0.969  -1.018  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.601   0.248   0.154  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -0.454  -0.445   0.757  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.738  -0.406   0.203  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -3.275   0.425  -1.554  0.00  0.00    -0.285 N 
ATOM      8  H   LIG    1       -3.245   0.293  -2.562  0.00  0.00    +0.155 HD
BRANCH   7  15
ATOM      9 CL   LIG    1       -9.178   0.002   3.016  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -8.155  -0.103   1.632  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -6.826   0.323   1.738  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -6.046   0.211   0.585  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -6.529  -0.285  -0.622  0.00  0.00    +0.091 A 
ATOM     14  N   LIG    1       -5.551  -0.271  -1.585  0.00  0.00    -0.214 NA
ATOM     15  C   LIG    1       -4.475   0.188  -0.990  0.00  0.00    +0.198 A 
ATOM     16  C   LIG    1       -7.865  -0.703  -0.705  0.00  0.00    +0.031 A 
ATOM     17  N   LIG    1       -4.740   0.525   0.313  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -4.077   0.955   0.938  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1       -8.673  -0.607   0.437  0.00  0.00    +0.022 A 
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1        1.993   0.192   0.735  0.00  0.00    +0.054 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.844  -0.893   0.065  0.00  0.00    +0.107 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.168  -0.978   0.672  0.00  0.00    -0.328 N 
ATOM     23  H   LIG    1        4.514  -1.922   0.813  0.00  0.00    +0.147 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.159  -0.146   0.146  0.00  0.00    +0.136 A 
ATOM     25  C   LIG    1        6.524  -0.440   0.280  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1        7.467   0.432  -0.254  0.00  0.00    +0.083 A 
ATOM     27  C   LIG    1        8.803  -0.015  -0.033  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1        8.852  -1.204   0.657  0.00  0.00    +0.048 A 
ATOM     29  N   LIG    1        7.127   1.570  -0.906  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1        5.810   1.773  -0.984  0.00  0.00    +0.223 A 
ATOM     31  S   LIG    1        7.292  -1.786   1.038  0.00  0.00    -0.092 S 
ATOM     32  N   LIG    1        4.830   0.991  -0.506  0.00  0.00    -0.220 NA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6