REMARK  Name = BDB036225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.725  -0.235   0.783  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        2.225  -0.893   2.003  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.130  -0.045   2.693  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.028   0.323   1.852  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.360   0.413   0.423  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.843   0.782   0.184  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.691  -0.669  -0.445  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        6.044   0.464  -0.810  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.760   0.573  -0.393  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.153   1.720  -0.748  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        4.050  -0.371   0.382  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.786  -1.519   0.717  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        6.112  -1.676   0.309  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.924   0.368  -2.104  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.557   0.251  -1.676  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.918   1.035  -1.780  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.112  -0.798  -0.900  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.799  -1.763  -0.584  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.152  -0.608   2.045  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.434  -0.136   1.399  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.117  -0.949   0.492  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -2.626  -2.159   0.176  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.309  -0.525  -0.098  0.00  0.00    +0.104 A 
ATOM     24  C   LIG    1       -4.850   0.730   0.212  0.00  0.00    +0.091 A 
ATOM     25  N   LIG    1       -6.049   1.197  -0.358  0.00  0.00    -0.244 NA
ATOM     26  C   LIG    1       -6.656   0.412  -1.196  0.00  0.00    +0.109 A 
ATOM     27  C   LIG    1       -6.147  -0.964  -1.611  0.00  0.00    +0.271 A 
ATOM     28  O   LIG    1       -6.749  -1.649  -2.424  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1       -4.175   1.545   1.122  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1       -4.976  -1.354  -1.011  0.00  0.00    -0.317 N 
ATOM     31  H   LIG    1       -4.594  -2.260  -1.250  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -2.981   1.118   1.713  0.00  0.00    +0.010 A 
BRANCH  26  33
ATOM     33  C   LIG    1       -7.922   0.846  -1.830  0.00  0.00    +0.043 C 
ATOM     34  C   LIG    1       -9.242   0.394  -1.249  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1       -8.843   1.836  -1.155  0.00  0.00    +0.010 C 
ENDBRANCH  26  33
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5