REMARK  Name = BDB045400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.239  -1.224   0.165  0.00  0.00    +0.140 C 
ATOM      2  C   LIG    1       -2.311  -0.195   0.613  0.00  0.00    +0.050 C 
ATOM      3  C   LIG    1       -3.380  -0.886   1.471  0.00  0.00    +0.026 C 
ATOM      4  C   LIG    1       -2.754  -1.489   2.733  0.00  0.00    +0.081 C 
ATOM      5  N   LIG    1       -1.411  -2.033   2.535  0.00  0.00    -0.313 NA
ATOM      6  H   LIG    1       -1.251  -2.816   3.166  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1       -1.151  -2.420   1.148  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -2.857   0.567  -0.592  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1       -4.040   0.207  -1.255  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -4.481   0.929  -2.368  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.741   2.013  -2.833  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -4.287   2.896  -4.205  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -2.561   2.382  -2.197  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.122   1.661  -1.084  0.00  0.00    +0.005 A 
ENDBRANCH   2   8
BRANCH   1  15
ATOM     15  O   LIG    1        0.020  -0.533   0.085  0.00  0.00    -0.370 OA
BRANCH  15  16
ATOM     16  C   LIG    1        0.910  -1.099  -0.875  0.00  0.00    +0.195 C 
BRANCH  16  20
ATOM     17  C   LIG    1        4.757   0.880  -0.731  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        4.200   0.493  -1.951  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        2.953  -0.137  -2.001  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        2.236  -0.383  -0.824  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        2.807  -0.004   0.399  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        4.055   0.627   0.447  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1        6.572   1.925   0.390  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        5.980   1.486  -0.826  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH  16  20
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5