REMARK  Name = BDB055880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.141  -2.192   0.808  0.00  0.00    +0.208 C 
ATOM      2  C   LIG    1       -1.213  -1.609   0.308  0.00  0.00    +0.245 C 
ATOM      3  O   LIG    1       -2.137  -2.347  -0.035  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.283  -0.205   0.192  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -0.430   0.575   1.109  0.00  0.00    +0.139 C 
ATOM      6  C   LIG    1        0.999  -0.026   1.300  0.00  0.00    +0.174 C 
ATOM      7  O   LIG    1        0.877  -1.389   1.732  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.379   2.086   0.890  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -0.496   2.940   2.003  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.434   4.329   1.853  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.249   4.880   0.589  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -0.171   6.588   0.403  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -0.126   4.054  -0.524  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.190   2.666  -0.373  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1        2.047   0.086   0.200  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1        1.749  -0.023  -1.167  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        2.759   0.078  -2.127  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        2.357  -0.039  -3.797  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        4.083   0.272  -1.747  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.402   0.359  -0.395  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.394   0.262   0.568  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1       -0.091  -3.570   1.459  0.00  0.00    +0.067 C 
BRANCH  22  24
ATOM     23  C   LIG    1        1.497  -5.506   1.191  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        1.198  -4.311   1.716  0.00  0.00    -0.031 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  25
ATOM     25  C   LIG    1       -2.593   0.333  -0.184  0.00  0.00    +0.112 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.731   0.372  -1.679  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -3.441  -0.725  -2.433  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -4.083   0.627  -2.297  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 6