REMARK  Name = BDB004510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.349   1.299   0.677  0.00  0.00    +0.150 C 
ATOM      2  C   LIG    1        1.188  -0.133   0.117  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1       -0.320  -0.471   0.374  0.00  0.00    +0.101 C 
ATOM      4  C   LIG    1       -1.042  -1.361  -0.627  0.00  0.00    -0.009 A 
ATOM      5  C   LIG    1       -1.394  -2.568  -0.018  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.047  -3.590  -0.677  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -2.356  -3.384  -2.019  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -2.010  -2.186  -2.663  0.00  0.00    +0.020 A 
ATOM      9 CL   LIG    1       -3.169  -4.616  -2.903  0.00  0.00    -0.083 Cl
ATOM     10  N   LIG    1       -0.984  -2.578   1.300  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -1.093  -3.346   1.948  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -1.347  -1.167  -1.968  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -0.328  -1.407   1.640  0.00  0.00    +0.230 C 
ATOM     14  O   LIG    1        0.154  -1.180   2.740  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -1.002   0.897   0.724  0.00  0.00    +0.041 C 
ATOM     16  C   LIG    1       -2.221   0.768   1.681  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -3.295   1.846   1.484  0.00  0.00    +0.083 C 
ATOM     18  N   LIG    1       -2.727   3.149   1.161  0.00  0.00    -0.316 NA
ATOM     19  H   LIG    1       -2.103   3.426   1.919  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -1.995   3.120  -0.105  0.00  0.00    +0.083 C 
ATOM     21  C   LIG    1       -1.454   1.736  -0.497  0.00  0.00    +0.038 C 
ATOM     22  N   LIG    1        0.102   1.591   1.426  0.00  0.00    -0.298 NA
ATOM     23  H   LIG    1       -0.037   2.596   1.509  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   2  24
ATOM     24  C   LIG    1        1.724  -0.388  -1.287  0.00  0.00    -0.004 A 
ATOM     25  C   LIG    1        2.110  -1.702  -1.617  0.00  0.00    +0.145 A 
ATOM     26  F   LIG    1        1.992  -2.664  -0.686  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1        2.592  -2.028  -2.885  0.00  0.00    +0.076 A 
ATOM     28 CL   LIG    1        3.037  -3.647  -3.265  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1        2.708  -1.040  -3.857  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        2.337   0.269  -3.553  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        1.847   0.594  -2.282  0.00  0.00    +0.007 A 
ENDBRANCH   2  24
BRANCH   1  35
ATOM     32  C   LIG    1        3.393   0.805   3.862  0.00  0.00    +0.128 C 
ATOM     33  N   LIG    1        2.410   0.736   2.815  0.00  0.00    -0.317 N 
ATOM     34  H   LIG    1        1.484   0.360   3.028  0.00  0.00    +0.148 HD
ATOM     35  C   LIG    1        2.551   1.419   1.628  0.00  0.00    +0.230 C 
ATOM     36  O   LIG    1        3.554   2.060   1.322  0.00  0.00    -0.274 OA
ENDBRANCH   1  35
TORSDOF 2