REMARK  Name = BDB013324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.942   0.272   0.292  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.180  -0.575  -0.210  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.541   0.151  -0.400  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.317   1.580  -0.890  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        0.424   2.369   0.073  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        0.203   3.774  -0.530  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.927   1.661   0.193  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -1.951   2.335   0.303  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.400  -1.819   0.658  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        0.501  -3.086   0.058  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        0.718  -4.226   0.835  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        0.836  -4.109   2.217  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        1.102  -5.514   3.174  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        0.743  -2.863   2.830  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.529  -1.722   2.054  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.490  -0.590  -1.340  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.167  -0.838  -2.684  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.056  -1.530  -3.508  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        2.633  -1.834  -5.148  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        4.277  -1.980  -3.014  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.614  -1.732  -1.685  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.728  -1.042  -0.855  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -2.267  -0.407   0.467  0.00  0.00    +0.083 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.029  -1.006   2.219  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -2.948  -0.018   1.798  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -3.156  -0.371  -0.790  0.00  0.00    +0.096 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.057   0.836  -0.961  0.00  0.00    +0.132 C 
ATOM     28  O   LIG    1       -5.071   0.981  -0.276  0.00  0.00    -0.298 OA
ATOM     29  C   LIG    1       -3.740   1.786  -2.086  0.00  0.00    +0.086 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  30
ATOM     30  C   LIG    1        0.959   2.507   1.515  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1        2.347   3.086   1.594  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1        3.361   2.426   1.431  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        2.375   4.412   1.840  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1        1.499   4.829   1.954  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 9