REMARK  Name = BDB019646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.054  -0.108  -0.862  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.179  -1.442  -0.789  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1       -1.197  -1.870  -0.011  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.004  -0.982   0.702  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.761   0.393   0.619  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -0.707   0.836  -0.186  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.413  -3.324   0.028  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -0.399  -4.247   0.350  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        1.006  -3.810   0.663  0.00  0.00    +0.066 C 
ATOM     10  N   LIG    1       -0.606  -5.592   0.406  0.00  0.00    -0.224 NA
ATOM     11  C   LIG    1       -1.839  -6.047   0.120  0.00  0.00    +0.213 A 
ATOM     12  F   LIG    1       -2.041  -7.371   0.171  0.00  0.00    -0.184 F 
ATOM     13  C   LIG    1       -2.899  -5.232  -0.216  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1       -2.682  -3.858  -0.260  0.00  0.00    +0.016 A 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     15  N   LIG    1        1.903   1.431  -1.333  0.00  0.00    -0.304 N 
ATOM     16  H   LIG    1        1.811   1.746  -0.376  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        1.201   0.306  -1.736  0.00  0.00    +0.263 C 
ATOM     18  O   LIG    1        1.511  -0.337  -2.733  0.00  0.00    -0.269 OA
BRANCH  15  19
ATOM     19  C   LIG    1        3.150   1.780  -1.986  0.00  0.00    +0.161 C 
BRANCH  19  24
ATOM     20  C   LIG    1        7.540  -0.832   0.546  0.00  0.00    +0.067 C 
ATOM     21  C   LIG    1        6.390  -0.155  -0.129  0.00  0.00    +0.056 A 
ATOM     22  N   LIG    1        5.853  -0.750  -1.220  0.00  0.00    -0.257 NA
ATOM     23  C   LIG    1        4.812  -0.103  -1.798  0.00  0.00    +0.136 A 
ATOM     24  C   LIG    1        4.324   1.109  -1.324  0.00  0.00    +0.076 A 
ATOM     25  N   LIG    1        4.849   1.700  -0.217  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        5.888   1.047   0.357  0.00  0.00    +0.134 A 
ENDBRANCH  19  24
ENDBRANCH  15  19
ENDBRANCH   1  17
BRANCH   5  27
ATOM     27  C   LIG    1       -2.625   1.384   1.358  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.405   2.141   0.399  0.00  0.00    -0.313 N 
ATOM     29  H   LIG    1       -3.884   1.557  -0.276  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.173   3.166   0.827  0.00  0.00    +0.176 C 
ATOM     31  N   LIG    1       -5.023   3.648  -0.116  0.00  0.00    -0.316 N 
ATOM     32  H   LIG    1       -4.610   3.716  -1.038  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1       -5.558   4.892   0.401  0.00  0.00    +0.127 C 
ATOM     34  C   LIG    1       -5.212   4.782   1.889  0.00  0.00    +0.163 C 
ATOM     35  N   LIG    1       -4.162   3.730   1.996  0.00  0.00    -0.255 NA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7