REMARK  Name = BDB040730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.564  -0.526  -1.091  0.00  0.00    +0.176 A 
ATOM      2  C   LIG    1       -4.878  -0.176  -0.753  0.00  0.00    +0.170 A 
ATOM      3  F   LIG    1       -5.710   0.271  -1.709  0.00  0.00    -0.201 F 
ATOM      4  C   LIG    1       -5.349  -0.272   0.561  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1       -4.463  -0.717   1.546  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -3.141  -1.044   1.217  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.657  -0.938  -0.099  0.00  0.00    +0.075 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -6.776   0.099   0.915  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1       -7.808  -0.669   0.088  0.00  0.00    +0.227 C 
ATOM     10  O   LIG    1       -7.668  -1.843  -0.250  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1       -8.977  -0.006  -0.200  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1       -9.662  -0.535  -0.723  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1       -9.406   1.199   0.295  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1      -10.552   1.593   0.103  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -8.427   1.958   1.156  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1       -6.993   1.611   0.790  0.00  0.00    +0.027 C 
ENDBRANCH   4   8
BRANCH   7  17
ATOM     17  N   LIG    1       -1.311  -1.281  -0.377  0.00  0.00    -0.323 N 
ATOM     18  C   LIG    1       -0.499  -0.803  -1.462  0.00  0.00    +0.129 C 
ATOM     19  C   LIG    1        0.723  -1.310  -0.675  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1       -0.208  -1.241   0.548  0.00  0.00    +0.129 C 
BRANCH  19  21
ATOM     21  N   LIG    1        1.879  -0.398  -0.659  0.00  0.00    -0.275 N 
ATOM     22  H   LIG    1        2.027   0.300  -1.375  0.00  0.00    +0.152 HD
ATOM     23  C   LIG    1        2.846  -0.447   0.299  0.00  0.00    +0.401 C 
ATOM     24  O   LIG    1        2.858  -1.219   1.246  0.00  0.00    -0.226 OA
BRANCH  23  25
ATOM     25  O   LIG    1        3.781   0.494   0.031  0.00  0.00    -0.450 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.873   0.575   0.964  0.00  0.00    +0.237 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.973  -0.392   0.544  0.00  0.00    +0.028 C 
ATOM     28  C   LIG    1        6.724  -0.052  -0.779  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        7.858   0.467   0.076  0.00  0.00    -0.029 C 
ATOM     30  C   LIG    1        8.097   1.962   0.114  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1        9.294   1.702  -0.836  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1        9.279   0.224  -0.369  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        7.324  -0.224   1.301  0.00  0.00    +0.013 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  19  21
ENDBRANCH   7  17
BRANCH   1  35
ATOM     34  C   LIG    1       -3.717  -1.459  -3.188  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -3.154  -0.409  -2.399  0.00  0.00    -0.490 OA
ENDBRANCH   1  35
TORSDOF 7