REMARK  Name = BDB013186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.041  -0.318  -0.642  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        0.796   0.744  -0.998  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        2.153   0.731  -0.789  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        2.663   1.875  -1.197  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        1.636   2.634  -1.716  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.713  -0.442  -0.210  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        1.836  -1.428   0.091  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        0.530   1.932  -1.612  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        0.471  -1.401  -0.120  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.153  -0.619   0.095  0.00  0.00    -0.009 A 
ATOM     11  C   LIG    1        4.877   0.417   0.697  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        6.235   0.244   0.975  0.00  0.00    +0.144 A 
ATOM     13  N   LIG    1        6.888  -0.911   0.661  0.00  0.00    -0.251 NA
ATOM     14  C   LIG    1        6.180  -1.891   0.063  0.00  0.00    +0.112 A 
ATOM     15  C   LIG    1        4.833  -1.794  -0.237  0.00  0.00    +0.028 A 
BRANCH  12  16
ATOM     16  C   LIG    1        7.007   1.391   1.616  0.00  0.00    +0.434 C 
ATOM     17  F   LIG    1        8.148   1.003   2.255  0.00  0.00    -0.164 F 
ATOM     18  F   LIG    1        6.273   2.054   2.560  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1        7.387   2.341   0.715  0.00  0.00    -0.164 F 
ENDBRANCH  12  16
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1       -1.398  -0.247  -0.857  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.773  -1.192  -0.778  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.206   0.632  -0.016  0.00  0.00    +0.143 C 
BRANCH  22  25
ATOM     23  F   LIG    1       -3.149   2.546  -1.859  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -4.026   1.620  -1.443  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1       -3.616   0.646  -0.522  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.565  -0.296  -0.138  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.475  -1.407   0.841  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.769  -2.147   0.499  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.681  -1.227  -0.141  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.862  -0.245  -0.633  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.275   0.726  -1.524  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -5.336   1.669  -1.938  0.00  0.00    +0.042 A 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5