REMARK  Name = BDB060360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.389  -0.101  -0.124  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        3.103  -1.236  -0.099  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        4.467  -1.204   0.285  0.00  0.00    +0.085 A 
ATOM      4  N   LIG    1        5.027   0.015   0.624  0.00  0.00    -0.226 N 
ATOM      5  C   LIG    1        6.353  -0.166   0.970  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1        6.620  -1.523   0.842  0.00  0.00    +0.055 A 
ATOM      7  N   LIG    1        4.376   1.221   0.613  0.00  0.00    -0.174 NA
ATOM      8  C   LIG    1        5.442  -2.167   0.415  0.00  0.00    +0.069 A 
ATOM      9 CL   LIG    1        5.304  -3.835   0.126  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        3.131   1.135   0.254  0.00  0.00    +0.142 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -2.849   0.837  -0.420  0.00  0.00    +0.091 C 
ATOM     12  C   LIG    1       -1.425   0.357  -0.620  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -1.023  -0.548  -1.581  0.00  0.00    -0.034 A 
ATOM     14  C   LIG    1        0.375  -0.812  -1.503  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        1.015  -0.090  -0.505  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -1.999  -1.109  -2.570  0.00  0.00    +0.051 C 
ATOM     17  C   LIG    1       -3.453  -0.793  -2.160  0.00  0.00    +0.086 C 
ATOM     18  S   LIG    1       -0.124   0.908   0.325  0.00  0.00    -0.091 S 
ATOM     19  N   LIG    1       -3.633   0.583  -1.654  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -3.293   1.229  -2.367  0.00  0.00    +0.123 HD
BRANCH  11  21
ATOM     21  C   LIG    1       -3.481   0.206   0.845  0.00  0.00    +0.027 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.140   0.337   2.725  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1       -4.804   0.849   1.319  0.00  0.00    -0.015 C 
ATOM     24  C   LIG    1       -5.988   0.574   0.393  0.00  0.00    +0.007 C 
ENDBRANCH  21  23
ENDBRANCH  11  21
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1        7.295   0.846   1.386  0.00  0.00    +0.260 C 
ATOM     26  O   LIG    1        8.464   0.611   1.677  0.00  0.00    -0.269 OA
ATOM     27  N   LIG    1        6.835   2.126   1.451  0.00  0.00    -0.324 N 
ATOM     28  H   LIG    1        5.872   2.347   1.216  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        7.468   2.855   1.740  0.00  0.00    +0.145 HD
ENDBRANCH   5  25
TORSDOF 4