REMARK  Name = BDB031367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.106   0.945  -0.919  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.994   1.033   0.052  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.180   1.865  -0.518  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.684   1.427  -1.841  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.471   1.364  -2.766  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.678   0.526  -2.276  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.730  -0.692   0.380  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        4.648  -0.830   1.192  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        3.489  -0.285   0.738  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.315   0.383  -0.483  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        4.477   0.505  -1.260  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.693  -0.035  -0.838  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        8.053  -2.444   2.790  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        6.910  -1.929   2.089  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        6.010  -1.846   2.557  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.015  -1.286   0.874  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        8.056  -1.185   0.236  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.388   0.136  -1.786  0.00  0.00    +0.122 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.714   0.221  -1.065  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -2.952  -0.547   0.081  0.00  0.00    +0.153 A 
ATOM     21  F   LIG    1       -1.990  -1.354   0.556  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1       -4.175  -0.482   0.746  0.00  0.00    +0.104 A 
ATOM     23  N   LIG    1       -4.402  -1.258   1.899  0.00  0.00    -0.317 N 
ATOM     24  H   LIG    1       -3.671  -1.871   2.243  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -5.582  -1.247   2.611  0.00  0.00    +0.275 A 
ATOM     26  C   LIG    1       -6.593  -0.372   2.092  0.00  0.00    +0.132 A 
ATOM     27  N   LIG    1       -6.379   0.386   0.972  0.00  0.00    -0.225 N 
ATOM     28  N   LIG    1       -7.444   1.146   0.637  0.00  0.00    -0.174 NA
ATOM     29  C   LIG    1       -8.349   0.853   1.576  0.00  0.00    +0.135 A 
ATOM     30  C   LIG    1       -7.874  -0.086   2.510  0.00  0.00    +0.054 A 
ATOM     31  O   LIG    1       -5.720  -1.946   3.609  0.00  0.00    -0.266 OA
ATOM     32  C   LIG    1       -5.172   0.365   0.257  0.00  0.00    +0.092 A 
ATOM     33  C   LIG    1       -4.965   1.143  -0.882  0.00  0.00    +0.030 A 
ATOM     34  C   LIG    1       -3.735   1.067  -1.540  0.00  0.00    +0.010 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4