REMARK  Name = BDB007186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.782  -0.085  -0.430  0.00  0.00    +0.163 A 
ATOM      2  C   LIG    1        2.861  -0.846  -1.607  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        1.679  -1.341  -2.167  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        0.436  -1.037  -1.591  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1       -0.846  -1.601  -2.142  0.00  0.00    +0.132 C 
ATOM      6  C   LIG    1       -2.051  -0.688  -1.969  0.00  0.00    +0.225 C 
ATOM      7  N   LIG    1       -2.022   0.201  -0.884  0.00  0.00    -0.260 N 
ATOM      8  C   LIG    1       -0.995   0.035   0.175  0.00  0.00    +0.142 C 
ATOM      9  O   LIG    1       -2.957  -0.764  -2.803  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        0.366  -0.244  -0.438  0.00  0.00    -0.015 A 
ATOM     11  C   LIG    1        1.548   0.234   0.138  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -1.444  -0.984   1.239  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1       -0.888  -2.271   1.364  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -1.339  -3.161   2.345  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.352  -2.778   3.218  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -2.904  -3.875   4.423  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.918  -1.512   3.120  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.466  -0.623   2.140  0.00  0.00    +0.007 A 
ENDBRANCH   8  12
BRANCH   7  19
ATOM     19  C   LIG    1       -3.065   1.172  -0.684  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -2.789   2.419  -0.106  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -3.806   3.358   0.106  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1       -5.122   3.081  -0.257  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1       -5.412   1.851  -0.838  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1       -4.392   0.912  -1.051  0.00  0.00    +0.027 A 
BRANCH  22  25
ATOM     25  O   LIG    1       -6.015   4.082   0.004  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1       -7.363   3.857  -0.388  0.00  0.00    +0.277 C 
ENDBRANCH  22  25
ENDBRANCH   7  19
BRANCH   2  27
ATOM     27  O   LIG    1        4.114  -1.061  -2.117  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        4.199  -1.580  -3.438  0.00  0.00    +0.277 C 
ENDBRANCH   2  27
BRANCH   1  29
ATOM     29  O   LIG    1        3.888   0.453   0.180  0.00  0.00    -0.485 OA
BRANCH  29  30
ATOM     30  C   LIG    1        4.722  -0.542   0.799  0.00  0.00    +0.170 C 
ATOM     31  C   LIG    1        4.455  -0.523   2.303  0.00  0.00    +0.052 C 
BRANCH  30  33
ATOM     32  C   LIG    1        6.666   1.143   0.924  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        6.189  -0.228   0.462  0.00  0.00    +0.041 C 
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 7