REMARK  Name = BDB017022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.710   1.337  -0.062  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.117   2.535  -0.415  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1       -0.168   2.383  -0.196  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.442   1.133   0.274  0.00  0.00    -0.336 N 
ATOM      5  C   LIG    1        0.741   0.452   0.375  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.110  -0.218   0.288  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        3.731  -0.041   0.420  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        3.147   1.079  -0.155  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        3.878   1.998  -0.836  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        5.207   1.804  -0.948  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        5.869   0.719  -0.409  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        5.121  -2.282   1.516  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.720  -1.417   0.905  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        7.051  -1.475   0.727  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.316  -2.303   1.181  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -1.755   0.626   0.614  0.00  0.00    +0.127 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.432  -0.044  -0.580  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.800  -0.568  -0.216  0.00  0.00    -0.046 A 
ATOM     19  C   LIG    1       -4.933   0.248  -0.361  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -6.194  -0.231  -0.004  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -6.322  -1.520   0.499  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1       -7.534  -1.977   0.842  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -5.212  -2.340   0.653  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -3.949  -1.865   0.297  0.00  0.00    +0.006 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6