REMARK  Name = BDB047091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.245   0.743   0.120  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.060  -0.040   0.155  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.994   0.180   1.175  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        3.215  -0.493   1.260  0.00  0.00    +0.114 A 
ATOM      5  C   LIG    1        3.538  -1.442   0.273  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        4.785  -2.093   0.409  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        5.629  -1.793   1.472  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        5.210  -0.843   2.381  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        2.611  -1.672  -0.771  0.00  0.00    +0.051 A 
ATOM     10 CL   LIG    1        2.926  -2.812  -2.037  0.00  0.00    -0.083 Cl
ATOM     11  N   LIG    1        4.030  -0.193   2.295  0.00  0.00    -0.251 NA
ATOM     12  C   LIG    1        1.396  -0.980  -0.827  0.00  0.00    +0.030 A 
BRANCH   3  13
ATOM     13  O   LIG    1        1.711   1.107   2.156  0.00  0.00    -0.504 OA
ATOM     14  H   LIG    1        2.494   1.069   2.749  0.00  0.00    +0.292 HD
ENDBRANCH   3  13
ENDBRANCH   1   2
BRANCH   1  17
ATOM     15  C   LIG    1       -0.836   3.566   1.481  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -0.353   3.362   0.081  0.00  0.00    -0.038 A 
ATOM     17  C   LIG    1       -0.091   2.126  -0.501  0.00  0.00    +0.017 A 
ATOM     18  S   LIG    1        0.431   2.298  -2.135  0.00  0.00    -0.099 S 
ATOM     19  C   LIG    1        0.337   3.997  -2.062  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -0.095   4.436  -0.833  0.00  0.00    +0.011 A 
ENDBRANCH   1  17
BRANCH   1  21
ATOM     21  N   LIG    1       -1.305   0.062  -0.612  0.00  0.00    -0.300 N 
ATOM     22  H   LIG    1       -1.602   0.485  -1.479  0.00  0.00    +0.150 HD
ATOM     23  C   LIG    1       -2.055  -0.938  -0.040  0.00  0.00    +0.245 C 
ATOM     24  O   LIG    1       -1.880  -1.350   1.100  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.149  -1.504  -0.879  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -4.256  -2.069  -0.233  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -5.304  -2.611  -0.979  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.246  -2.600  -2.372  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.139  -2.054  -3.022  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.088  -1.509  -2.279  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH   1  21
TORSDOF 5