REMARK  Name = BDB008620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.690  -1.302  -0.680  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        1.645  -2.683  -0.621  0.00  0.00    +0.165 A 
ATOM      3  O   LIG    1        2.109  -3.534  -1.599  0.00  0.00    -0.488 OA
ATOM      4  C   LIG    1        2.107  -4.828  -0.959  0.00  0.00    +0.234 C 
ATOM      5  C   LIG    1        1.110  -4.809   0.198  0.00  0.00    +0.080 C 
ATOM      6  C   LIG    1        1.080  -3.352   0.455  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.534  -2.661   1.526  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        0.570  -1.255   1.519  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1        1.177  -0.597   0.415  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        0.038  -0.420   2.682  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -0.801  -1.159   3.737  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -0.642   0.840   2.274  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -1.898   0.917   1.657  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -2.588   1.940   1.752  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -2.382  -0.256   0.782  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -1.767  -0.153  -0.517  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -2.676   0.294  -1.522  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -3.857  -0.681  -1.659  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -4.430  -1.144  -0.377  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -4.089  -2.094  -0.216  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -3.932  -0.288   0.718  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -0.178   2.038   2.956  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1        1.260   2.493   2.916  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1        0.220   3.257   2.161  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   8  10
BRANCH   1  25
ATOM     25  O   LIG    1        2.248  -0.742  -1.793  0.00  0.00    -0.488 OA
BRANCH  25  26
ATOM     26  C   LIG    1        1.908   0.624  -2.046  0.00  0.00    +0.231 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.341   0.957  -3.471  0.00  0.00    +0.069 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.917   2.359  -3.882  0.00  0.00    +0.163 C 
BRANCH  28  30
ATOM     29  C   LIG    1        2.148   4.643  -3.355  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        2.534   3.315  -3.022  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9