REMARK  Name = BDB013175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.488  -0.308  -0.406  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.513  -1.265  -0.802  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.192  -0.938  -0.613  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.520  -1.978  -1.132  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.301  -2.911  -1.559  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.221   0.266  -0.036  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.671   1.158   0.299  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.587  -2.461  -1.349  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.003   0.849   0.100  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.629  -0.851  -0.863  0.00  0.00    +0.318 A 
ATOM     11  N   LIG    1        6.209  -0.268   0.271  0.00  0.00    -0.203 NA
ATOM     12  C   LIG    1        4.873  -0.110   0.394  0.00  0.00    +0.126 A 
ATOM     13  C   LIG    1        3.945  -0.490  -0.560  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        4.506  -1.095  -1.671  0.00  0.00    +0.126 A 
ATOM     15  N   LIG    1        5.833  -1.276  -1.853  0.00  0.00    -0.203 NA
BRANCH  10  17
ATOM     16  C   LIG    1        8.783  -0.626   0.007  0.00  0.00    +0.280 C 
ATOM     17  O   LIG    1        7.975  -1.047  -1.082  0.00  0.00    -0.466 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1       -1.557   0.540   0.159  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.627   1.533   0.391  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.298  -0.201   1.181  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.690   0.348   1.301  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.617   0.285   0.264  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.476  -0.227  -1.121  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.947  -0.233  -1.538  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.676   0.698  -0.707  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.892   0.820   0.410  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.306   1.433   1.575  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.401   1.495   2.633  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.115   0.956   2.490  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.271   1.041   3.528  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5