REMARK  Name = BDB036223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.662  -1.541  -0.596  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.513  -0.727  -1.020  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.332  -1.648  -1.415  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.071  -2.636  -0.381  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        1.137  -3.399   0.023  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.358  -2.542   0.444  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.439   0.162  -0.248  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.433   0.765   0.444  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        4.187   0.220   0.351  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        3.151   0.936   1.166  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.899  -0.911  -0.437  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.982  -1.494  -1.119  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        6.263  -0.961  -1.033  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.015   2.694   0.859  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.840   1.880   0.714  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.942   2.198   1.071  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.797   0.785  -0.123  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.765   0.346  -0.733  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -0.708  -2.009   0.789  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.062  -1.415   0.479  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -2.309  -0.056   0.685  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -1.330   0.738   1.148  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -3.561   0.496   0.409  0.00  0.00    +0.104 A 
ATOM     24  C   LIG    1       -4.599  -0.303  -0.080  0.00  0.00    +0.091 A 
ATOM     25  N   LIG    1       -5.874   0.212  -0.370  0.00  0.00    -0.244 NA
ATOM     26  C   LIG    1       -6.086   1.485  -0.188  0.00  0.00    +0.109 A 
ATOM     27  C   LIG    1       -5.010   2.432   0.360  0.00  0.00    +0.271 A 
ATOM     28  O   LIG    1       -5.245   3.616   0.546  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1       -4.359  -1.663  -0.288  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1       -3.792   1.860   0.620  0.00  0.00    -0.317 N 
ATOM     31  H   LIG    1       -3.056   2.453   0.982  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -3.104  -2.217  -0.011  0.00  0.00    +0.010 A 
BRANCH  26  33
ATOM     33  C   LIG    1       -7.453   2.093  -0.464  0.00  0.00    +0.037 C 
ATOM     34  C   LIG    1       -8.301   2.018   0.802  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1       -8.153   1.401  -1.631  0.00  0.00    +0.014 C 
ENDBRANCH  26  33
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5