REMARK  Name = BDB038765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.269  -0.886   1.379  0.00  0.00    +0.143 A 
ATOM      2  C   LIG    1        1.080  -0.410   0.813  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1        0.217  -1.303   0.148  0.00  0.00    +0.056 A 
ATOM      4  N   LIG    1       -0.941  -0.833  -0.505  0.00  0.00    -0.354 N 
ATOM      5  H   LIG    1       -1.672  -1.538  -0.638  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1       -1.368   0.465  -0.326  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -0.647   1.392   0.323  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1        0.570  -2.655   0.043  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        1.743  -3.120   0.634  0.00  0.00    +0.046 A 
ATOM     10 CL   LIG    1        2.153  -4.787   0.518  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        0.668   1.018   0.898  0.00  0.00    +0.194 A 
ATOM     12  O   LIG    1        1.353   1.891   1.417  0.00  0.00    -0.287 OA
ATOM     13  C   LIG    1        2.590  -2.247   1.310  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   6  14
ATOM     14  C   LIG    1       -2.679   0.848  -0.896  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -3.917   0.331  -0.460  0.00  0.00    +0.097 A 
ATOM     16  C   LIG    1       -5.115   0.760  -1.048  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1       -5.090   1.703  -2.079  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1       -3.874   2.218  -2.532  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1       -2.679   1.791  -1.943  0.00  0.00    +0.030 A 
BRANCH  15  20
ATOM     20  S   LIG    1       -3.938  -0.899   0.830  0.00  0.00    -0.005 S 
ATOM     21  O   LIG    1       -3.336  -2.084   0.243  0.00  0.00    -0.170 OA
ATOM     22  O   LIG    1       -3.384  -0.270   2.013  0.00  0.00    -0.170 OA
ATOM     23  C   LIG    1       -5.624  -1.292   1.194  0.00  0.00    +0.200 C 
ENDBRANCH  15  20
BRANCH  18  24
ATOM     24  C   LIG    1       -3.851   3.177  -3.598  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1       -3.842   3.951  -4.462  0.00  0.00    -0.191 NA
ENDBRANCH  18  24
ENDBRANCH   6  14
BRANCH   1  26
ATOM     26  O   LIG    1        3.111  -0.051   2.071  0.00  0.00    -0.452 OA
BRANCH  26  31
ATOM     27  C   LIG    1        7.018   0.584  -0.785  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        6.077   0.578   0.308  0.00  0.00    -0.271 N 
ATOM     29  N   LIG    1        6.410   1.177   1.469  0.00  0.00    -0.176 NA
ATOM     30  C   LIG    1        5.321   1.010   2.228  0.00  0.00    +0.180 A 
ATOM     31  C   LIG    1        4.320   0.280   1.565  0.00  0.00    +0.166 A 
ATOM     32  C   LIG    1        4.832   0.017   0.316  0.00  0.00    +0.154 A 
ENDBRANCH  26  31
ENDBRANCH   1  26
TORSDOF 5