REMARK  Name = BDB021184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.076   0.111   0.125  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.458  -1.132   0.426  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.091  -1.113   0.628  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.298  -2.410   0.877  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.863  -3.147   0.829  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.679   0.067   0.557  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.091   1.197   0.269  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.946  -2.351   0.552  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.271   1.191   0.058  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.217   0.705  -0.423  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1        5.649   1.097   0.734  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        4.320   0.871   0.855  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        3.517   0.290  -0.129  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        4.138  -0.097  -1.329  0.00  0.00    -0.036 A 
ATOM     15  C   LIG    1        3.381  -0.757  -2.447  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        5.517   0.113  -1.464  0.00  0.00    +0.071 A 
BRANCH  10  18
ATOM     17  C   LIG    1        8.228   1.469   0.495  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        7.570   0.891  -0.628  0.00  0.00    -0.480 OA
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  C   LIG    1        0.997  -4.560   1.021  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1        1.062  -5.708   1.182  0.00  0.00    -0.189 NA
ENDBRANCH   5  19
BRANCH   6  21
ATOM     21  N   LIG    1       -2.036  -0.014   0.788  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.364  -0.794   1.345  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.836   1.185   0.972  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.291   0.818   0.955  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.954   0.464  -0.217  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.440   0.324  -1.601  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.769   0.214  -2.348  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.789  -0.244  -1.431  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.293   0.095  -0.199  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.032   0.057   0.967  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.391   0.414   2.153  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.040   0.787   2.138  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.452   1.102   3.302  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6