REMARK  Name = BDB023731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.284   0.257   0.166  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -1.438  -0.917  -0.553  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.378  -1.933  -0.581  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1       -0.981  -3.114  -1.346  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -2.460  -3.014  -1.017  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -2.712  -1.504  -0.968  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -0.208   0.510   0.720  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.880  -1.379  -1.242  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        1.840  -0.752  -0.493  0.00  0.00    -0.278 N 
ATOM     10  H   LIG    1        1.433  -0.118   0.202  0.00  0.00    +0.152 HD
ATOM     11  C   LIG    1        2.752  -0.127  -1.455  0.00  0.00    +0.325 C 
ATOM     12  O   LIG    1        2.318  -0.672  -2.734  0.00  0.00    -0.352 OA
ATOM     13  N   LIG    1        1.096  -1.392  -2.529  0.00  0.00    -0.069 NA
BRANCH  11  14
ATOM     14  C   LIG    1        4.184  -0.574  -1.147  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        4.700  -0.470   0.159  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        6.012  -0.851   0.446  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.833  -1.340  -0.565  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.344  -1.449  -1.864  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.032  -1.069  -2.154  0.00  0.00    +0.009 A 
ENDBRANCH  11  14
BRANCH  11  20
ATOM     20  C   LIG    1        2.644   1.426  -1.519  0.00  0.00    +0.455 C 
ATOM     21  F   LIG    1        3.490   1.972  -2.428  0.00  0.00    -0.165 F 
ATOM     22  F   LIG    1        2.927   1.997  -0.318  0.00  0.00    -0.165 F 
ATOM     23  F   LIG    1        1.394   1.836  -1.849  0.00  0.00    -0.165 F 
ENDBRANCH  11  20
ENDBRANCH   3   8
BRANCH   5  24
ATOM     24  O   LIG    1       -2.705  -3.591   0.265  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1       -2.566  -4.551   0.187  0.00  0.00    +0.210 HD
ENDBRANCH   5  24
BRANCH   1  26
ATOM     26  C   LIG    1       -2.486   1.217   0.243  0.00  0.00    +0.146 C 
BRANCH  26  31
ATOM     27  C   LIG    1       -3.961   0.603   5.112  0.00  0.00    +0.069 C 
ATOM     28  C   LIG    1       -3.846   0.821   3.653  0.00  0.00    +0.081 A 
ATOM     29  N   LIG    1       -4.934   1.052   2.909  0.00  0.00    -0.083 NA
ATOM     30  O   LIG    1       -4.478   1.209   1.615  0.00  0.00    -0.359 OA
ATOM     31  C   LIG    1       -3.123   1.074   1.587  0.00  0.00    +0.150 A 
ATOM     32  C   LIG    1       -2.675   0.829   2.864  0.00  0.00    +0.071 A 
ENDBRANCH  26  31
BRANCH  26  33
ATOM     33  C   LIG    1       -2.159   2.697  -0.087  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -1.049   3.339   0.751  0.00  0.00    +0.008 C 
ATOM     35  C   LIG    1       -1.844   2.857  -1.578  0.00  0.00    +0.008 C 
ENDBRANCH  26  33
ENDBRANCH   1  26
TORSDOF 7