REMARK  Name = BDB014523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.825   0.952   0.771  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -1.455  -0.199   0.553  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.119  -0.540   0.445  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.124  -1.404  -0.029  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.900   0.493   0.377  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.296  -0.103   0.570  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        2.512  -1.121  -0.425  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        3.488  -1.169  -0.514  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        3.389   0.977   0.432  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        4.740   0.373   0.389  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        5.706   1.361  -0.144  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        7.147   0.898  -0.088  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        7.543  -0.124   0.792  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        8.887  -0.515   0.847  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        9.839   0.125   0.053  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        9.455   1.154  -0.803  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.511  -0.840   1.622  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        8.116   1.541  -0.873  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        5.192  -0.060   1.726  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.407  -1.389   0.414  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.698  -0.934   0.041  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.720  -1.838  -0.021  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -5.994  -1.316  -0.327  0.00  0.00    -0.001 A 
ATOM     24  C   LIG    1       -7.088  -2.201  -0.399  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -6.923  -3.567  -0.180  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.663  -4.073   0.114  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.565  -3.214   0.192  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -6.252   0.165  -0.588  0.00  0.00    +0.036 C 
ATOM     29  C   LIG    1       -5.497   0.705  -1.823  0.00  0.00    +0.089 C 
ATOM     30  N   LIG    1       -5.811   2.119  -2.092  0.00  0.00    -0.315 NA
ATOM     31  H   LIG    1       -6.810   2.207  -2.273  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -5.461   2.943  -0.931  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1       -6.235   2.519   0.317  0.00  0.00    +0.016 C 
ATOM     34  C   LIG    1       -5.994   1.046   0.648  0.00  0.00    +0.011 C 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9