REMARK  Name = BDB031563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.004  -0.538  -0.735  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1        1.152  -1.267   0.550  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1        2.085  -2.471   0.613  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -0.361  -1.645   0.442  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1       -0.176  -1.355  -1.073  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        2.077  -0.698  -1.713  0.00  0.00    +0.121 C 
BRANCH   6  17
ATOM      7  C   LIG    1        9.125   2.790  -0.251  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1        7.898   1.992  -0.557  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        8.112   0.565  -0.962  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1        9.235   0.076  -1.038  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1        6.994  -0.177  -1.245  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1        7.158  -1.137  -1.516  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1        5.695   0.337  -1.171  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        5.493   1.664  -0.796  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1        4.277   2.240  -0.704  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        3.216   1.448  -0.994  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1        3.309   0.105  -1.370  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        4.590  -0.452  -1.468  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        6.652   2.493  -0.485  0.00  0.00    +0.038 A 
ENDBRANCH   6  17
ENDBRANCH   1   6
BRANCH   4  20
ATOM     20  O   LIG    1       -1.263  -0.786   1.184  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.613  -0.922   1.002  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -3.414   0.074   1.554  0.00  0.00    +0.157 A 
ATOM     23  N   LIG    1       -4.767   0.102   1.477  0.00  0.00    -0.247 NA
ATOM     24  C   LIG    1       -5.346  -0.935   0.810  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1       -4.633  -1.977   0.231  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -3.241  -1.968   0.333  0.00  0.00    +0.049 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -6.840  -0.910   0.721  0.00  0.00    +0.263 C 
ATOM     28  N   LIG    1       -7.421   0.176   1.344  0.00  0.00    -0.301 N 
ATOM     29  H   LIG    1       -6.788   0.838   1.792  0.00  0.00    +0.150 HD
ATOM     30  O   LIG    1       -7.465  -1.790   0.140  0.00  0.00    -0.269 OA
BRANCH  28  31
ATOM     31  C   LIG    1       -8.833   0.399   1.370  0.00  0.00    +0.148 C 
ATOM     32  C   LIG    1       -9.425   1.714   1.750  0.00  0.00    +0.269 C 
ATOM     33  F   LIG    1      -10.571   1.774   2.506  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -8.615   2.758   2.136  0.00  0.00    -0.204 F 
ATOM     35  C   LIG    1       -9.480   1.292   0.333  0.00  0.00    +0.105 C 
ENDBRANCH  28  31
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6