REMARK  Name = BDB040723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.327   0.018  -0.696  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -3.747  -0.731   0.328  0.00  0.00    +0.132 A 
ATOM      3  F   LIG    1       -4.525  -1.288   1.267  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.366  -0.912   0.414  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -1.513  -0.345  -0.538  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.085   0.421  -1.559  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -3.468   0.591  -1.631  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -3.969   1.339  -2.625  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1       -9.738  -0.207   0.488  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -8.561  -0.077   0.163  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1       -7.843  -1.132  -0.340  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1       -8.342  -2.008  -0.418  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1       -6.576  -1.117  -0.875  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1       -6.135  -2.116  -1.439  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -5.823   0.210  -0.798  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1       -6.351   1.068   0.357  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -7.853   1.254   0.216  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  N   LIG    1       -0.117  -0.513  -0.452  0.00  0.00    -0.326 N 
ATOM     19  C   LIG    1        0.591  -1.593   0.181  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1        1.840  -1.134  -0.596  0.00  0.00    +0.111 C 
ATOM     21  C   LIG    1        0.834  -0.436  -1.532  0.00  0.00    +0.129 C 
BRANCH  20  22
ATOM     22  N   LIG    1        2.729  -0.215   0.147  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1        2.439   0.215   1.015  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1        3.873   0.293  -0.391  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1        4.322  -0.009  -1.486  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1        4.409   1.185   0.473  0.00  0.00    -0.446 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.641   1.785   0.057  0.00  0.00    +0.269 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.794   1.072   0.713  0.00  0.00    -0.010 A 
ATOM     29  C   LIG    1        7.192   1.406   2.015  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        8.249   0.730   2.627  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.911  -0.290   1.947  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.515  -0.640   0.658  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.459   0.035   0.044  0.00  0.00    +0.007 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  20  22
ENDBRANCH   5  18
TORSDOF 6