REMARK  Name = BDB017004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.920  -0.025   0.225  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        2.620   0.832   1.266  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        1.329   0.697   1.470  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.778  -0.198   0.598  0.00  0.00    -0.335 N 
ATOM      5  C   LIG    1        1.779  -0.676  -0.198  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        6.588   0.301  -0.376  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        5.329   0.502   0.190  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        4.254  -0.202  -0.334  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        4.379  -1.072  -1.371  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        5.610  -1.245  -1.896  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.735  -0.588  -1.440  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        8.917   0.879  -0.331  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        7.792   1.006   0.116  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        7.532   1.835   1.140  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        8.402   2.227   1.361  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -0.620  -0.578   0.541  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.406   0.307  -0.432  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.818  -0.071  -0.559  0.00  0.00    -0.310 NA
ATOM     19  H   LIG    1       -3.214   0.397  -1.377  0.00  0.00    +0.122 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.613   0.313   0.608  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.077   0.016   0.377  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1       -5.527  -1.314   0.313  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -6.877  -1.595   0.095  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -7.777  -0.548  -0.062  0.00  0.00    +0.123 A 
ATOM     25  F   LIG    1       -9.072  -0.817  -0.271  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -7.353   0.774  -0.007  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -6.003   1.058   0.210  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8