REMARK  Name = BDB040751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.407   1.557   0.795  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1       -0.809   2.398   0.364  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -1.634   1.354   0.902  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -0.584   0.376   0.800  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.012   1.154   0.692  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.588  -0.110   0.857  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -4.956  -0.298   0.659  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -5.463  -1.530   0.814  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -5.798   0.755   0.299  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -5.217   2.012   0.148  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -5.976   3.060  -0.202  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.850   2.217   0.343  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -7.282   0.556   0.088  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -7.975  -0.019   1.322  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -7.648   0.259   2.474  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -9.067  -0.822   1.091  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -9.532  -1.175   1.916  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -9.692  -1.074  -0.103  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1      -10.753  -1.690  -0.147  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -9.052  -0.484  -1.335  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -7.553  -0.315  -1.144  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1        2.404   0.466  -0.215  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1        1.497   1.483  -0.192  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1        1.666   2.213  -0.870  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1        2.398  -0.498   0.534  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        3.304   0.699  -1.201  0.00  0.00    -0.450 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.333  -0.296  -1.355  0.00  0.00    +0.234 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.504   0.029  -0.426  0.00  0.00    +0.048 C 
BRANCH  28  30
ATOM     29  C   LIG    1        7.316  -0.957  -1.922  0.00  0.00    +0.011 C 
ATOM     30  C   LIG    1        6.726  -0.932  -0.496  0.00  0.00    -0.029 C 
ATOM     31  C   LIG    1        6.293  -2.365  -0.132  0.00  0.00    +0.011 C 
BRANCH  30  32
ATOM     32  C   LIG    1        7.799  -0.362   0.436  0.00  0.00    -0.005 C 
ATOM     33  C   LIG    1        8.893  -1.196   1.061  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1        7.805  -0.616   1.924  0.00  0.00    +0.004 C 
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 8