REMARK  Name = BDB060358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.205  -0.168  -0.546  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        3.094  -1.073  -0.105  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        4.442  -0.688   0.113  0.00  0.00    +0.085 A 
ATOM      4  N   LIG    1        4.795   0.633  -0.113  0.00  0.00    -0.226 N 
ATOM      5  C   LIG    1        6.140   0.803   0.170  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1        6.629  -0.438   0.563  0.00  0.00    +0.055 A 
ATOM      7  N   LIG    1        3.958   1.602  -0.574  0.00  0.00    -0.174 NA
ATOM      8  C   LIG    1        5.566  -1.362   0.529  0.00  0.00    +0.069 A 
ATOM      9 CL   LIG    1        5.705  -3.003   0.946  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        2.742   1.202  -0.770  0.00  0.00    +0.142 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -2.911   0.270  -0.593  0.00  0.00    +0.085 C 
ATOM     12  C   LIG    1       -1.524  -0.296  -0.827  0.00  0.00    -0.020 A 
ATOM     13  C   LIG    1       -1.305  -1.504  -1.456  0.00  0.00    -0.004 A 
ATOM     14  S   LIG    1        0.335  -1.912  -1.569  0.00  0.00    -0.093 S 
ATOM     15  C   LIG    1        0.829  -0.463  -0.768  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -2.391  -2.357  -2.027  0.00  0.00    +0.058 C 
ATOM     17  C   LIG    1       -3.761  -1.834  -1.551  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1       -0.282   0.304  -0.445  0.00  0.00    +0.021 A 
ATOM     19  N   LIG    1       -3.851  -0.360  -1.546  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -3.612  -0.025  -2.479  0.00  0.00    +0.123 HD
BRANCH  11  21
ATOM     21  C   LIG    1       -3.333   0.143   0.889  0.00  0.00    +0.026 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.884   0.419   0.708  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1       -4.580   0.956   1.298  0.00  0.00    -0.015 C 
ATOM     24  C   LIG    1       -4.693   0.976   2.827  0.00  0.00    +0.007 C 
ENDBRANCH  21  23
ENDBRANCH  11  21
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1        6.838   2.063   0.074  0.00  0.00    +0.260 C 
ATOM     26  O   LIG    1        6.328   3.178   0.065  0.00  0.00    -0.269 OA
ATOM     27  N   LIG    1        8.201   1.969  -0.014  0.00  0.00    -0.324 N 
ATOM     28  H   LIG    1        8.656   1.106  -0.269  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        8.681   2.836  -0.210  0.00  0.00    +0.145 HD
ENDBRANCH   5  25
TORSDOF 4