REMARK  Name = BDB014491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.769   0.169  -0.293  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.206   0.194   0.685  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.021  -0.153   1.612  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.506   0.247  -1.490  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.190   0.043   0.269  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -3.217  -0.017  -0.714  0.00  0.00    -0.481 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -5.114  -1.482  -0.819  0.00  0.00    +0.072 A 
ATOM      8  C   LIG    1       -3.720  -1.282  -0.900  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -2.870  -2.338  -1.257  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.387  -3.612  -1.489  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.757  -3.832  -1.386  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -5.609  -2.774  -1.065  0.00  0.00    +0.027 A 
BRANCH   7  17
ATOM     13  C   LIG    1       -6.392   3.700  -0.917  0.00  0.00    +0.105 C 
ATOM     14  N   LIG    1       -6.806   2.423  -0.343  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -7.312   1.495  -1.382  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1       -6.362   0.332  -1.746  0.00  0.00    +0.120 C 
ATOM     17  N   LIG    1       -6.064  -0.481  -0.547  0.00  0.00    -0.325 N 
ATOM     18  C   LIG    1       -5.870   0.302   0.692  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1       -5.693   1.814   0.420  0.00  0.00    +0.103 C 
ENDBRANCH   7  17
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  20
ATOM     20  C   LIG    1        1.617   0.147   0.332  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.488   0.502   1.541  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.267  -0.484   2.568  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.895  -1.203   2.348  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.997   0.570   1.222  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.551  -0.782   0.977  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.820  -0.998   1.705  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        7.016  -0.277   1.126  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        7.059   0.061  -0.238  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        8.196   0.690  -0.763  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        9.291   0.963   0.055  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        9.258   0.614   1.403  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.867  -0.196  -1.125  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        8.129  -0.007   1.936  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        4.784  -1.060  -0.455  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9