REMARK  Name = BDB051959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.105  -0.016   0.754  0.00  0.00    +0.217 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -3.748   0.080   0.870  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -3.480   1.060  -0.149  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -2.089   1.113  -0.326  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -1.481   1.970  -1.259  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -2.297   2.800  -2.029  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.676   2.778  -1.874  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.533   0.204   0.549  0.00  0.00    -0.337 N 
ATOM      9  C   LIG    1       -4.274   1.918  -0.945  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -2.516  -0.408   1.275  0.00  0.00    +0.098 A 
BRANCH   2  12
ATOM     11  C   LIG    1       -6.317   0.098   0.898  0.00  0.00    +0.091 C 
ATOM     12  C   LIG    1       -5.007  -0.394   1.452  0.00  0.00    +0.162 C 
ATOM     13  O   LIG    1       -5.012  -1.188   2.396  0.00  0.00    -0.292 OA
ENDBRANCH   2  12
ENDBRANCH   1   8
BRANCH   1  14
ATOM     14  C   LIG    1        0.529  -0.916  -0.295  0.00  0.00    +0.235 C 
ATOM     15  N   LIG    1        1.933  -1.006  -0.283  0.00  0.00    -0.299 N 
ATOM     16  C   LIG    1        2.734  -0.671   0.902  0.00  0.00    +0.122 C 
ATOM     17  C   LIG    1        4.172  -0.286   0.537  0.00  0.00    +0.115 C 
ATOM     18  C   LIG    1        4.817  -1.371  -0.326  0.00  0.00    +0.018 C 
ATOM     19  C   LIG    1        3.966  -1.633  -1.564  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1        2.529  -1.985  -1.194  0.00  0.00    +0.108 C 
ATOM     21  O   LIG    1       -0.141  -1.530  -1.127  0.00  0.00    -0.274 OA
BRANCH  17  22
ATOM     22  C   LIG    1        4.972  -0.053   1.800  0.00  0.00    +0.309 C 
ATOM     23  O   LIG    1        4.603  -0.364   2.921  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1        6.156   0.560   1.578  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1        6.339   0.776   0.644  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  17  22
ENDBRANCH   1  14
TORSDOF 5