REMARK  Name = BDB054151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.301  -1.346   2.975  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -2.521  -0.913   1.776  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -2.365   0.367   1.262  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1       -2.961   1.588   1.900  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1       -1.558   0.363   0.045  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -1.320   1.514  -0.836  0.00  0.00    +0.076 C 
ATOM      7  N   LIG    1       -0.176   1.815  -1.334  0.00  0.00    -0.271 NA
ATOM      8  C   LIG    1        1.051   1.039  -1.143  0.00  0.00    +0.184 C 
ATOM      9  C   LIG    1        0.893  -0.375  -1.599  0.00  0.00    +0.164 A 
ATOM     10  N   LIG    1       -0.058  -1.253  -1.106  0.00  0.00    -0.275 N 
ATOM     11  C   LIG    1        0.267  -2.465  -1.708  0.00  0.00    +0.135 A 
ATOM     12  C   LIG    1       -0.472  -3.743  -1.583  0.00  0.00    +0.088 C 
ATOM     13  N   LIG    1        1.309  -2.302  -2.497  0.00  0.00    -0.134 NA
ATOM     14  N   LIG    1        1.695  -0.998  -2.436  0.00  0.00    -0.132 NA
ATOM     15  C   LIG    1       -1.042  -0.903  -0.175  0.00  0.00    +0.097 A 
ATOM     16  S   LIG    1       -1.651  -2.071   0.881  0.00  0.00    -0.075 S 
ENDROOT
BRANCH   6  17
ATOM     17  C   LIG    1       -2.484   2.379  -1.204  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.281   3.756  -1.379  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -3.349   4.583  -1.737  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.614   4.033  -1.935  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -5.929   5.051  -2.373  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -4.821   2.662  -1.784  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -3.756   1.832  -1.425  0.00  0.00    +0.011 A 
ENDBRANCH   6  17
BRANCH   8  24
ATOM     24  C   LIG    1        1.599   1.200   0.271  0.00  0.00    +0.155 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.996   0.647   0.362  0.00  0.00    +0.310 C 
ATOM     26  O   LIG    1        4.001   1.306   0.143  0.00  0.00    -0.251 OA
BRANCH  25  27
ATOM     27  O   LIG    1        2.948  -0.663   0.718  0.00  0.00    -0.459 OA
BRANCH  27  28
ATOM     28  C   LIG    1        4.159  -1.456   0.806  0.00  0.00    +0.105 C 
ATOM     29  C   LIG    1        5.074  -0.939   1.921  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        3.672  -2.865   1.179  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        4.885  -1.530  -0.541  0.00  0.00    +0.055 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH   8  24
TORSDOF 5