REMARK  Name = BDB025272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.274  -1.966  -0.216  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -2.104  -1.526  -1.252  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -3.338  -0.910  -0.947  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -4.381  -0.356  -1.748  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -5.353   0.124  -0.880  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -4.945  -0.142   0.406  0.00  0.00    -0.313 N 
ATOM      7  N   LIG    1       -6.503   0.748  -1.213  0.00  0.00    -0.237 NA
ATOM      8  C   LIG    1       -6.675   0.868  -2.549  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1       -5.790   0.428  -3.522  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -4.609  -0.198  -3.126  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -3.705  -0.757   0.397  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -2.877  -1.197   1.443  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -1.659  -1.802   1.113  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   6  14
ATOM     14  C   LIG    1       -5.716   0.225   1.592  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1       -7.131  -0.343   1.543  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1       -7.382  -1.508   1.239  0.00  0.00    -0.273 OA
ATOM     17  N   LIG    1       -8.141   0.484   1.978  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -9.069   0.084   1.945  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -8.007   1.586   2.781  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -8.972   2.067   3.369  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -6.602   2.096   2.992  0.00  0.00    +0.099 C 
ATOM     22  C   LIG    1       -5.711   1.740   1.815  0.00  0.00    +0.044 C 
ENDBRANCH   6  14
BRANCH   1  24
ATOM     23  C   LIG    1        1.032  -3.109  -0.768  0.00  0.00    -0.069 C 
ATOM     24  C   LIG    1       -0.023  -2.588  -0.522  0.00  0.00    -0.064 C 
BRANCH  23  25
ATOM     25  C   LIG    1        2.321  -3.740  -1.061  0.00  0.00    +0.248 C 
BRANCH  25  26
ATOM     26  O   LIG    1        3.268  -3.467  -0.028  0.00  0.00    -0.366 OA
BRANCH  26  27
ATOM     27  C   LIG    1        3.884  -2.181  -0.130  0.00  0.00    +0.180 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.109  -2.224  -1.049  0.00  0.00    +0.135 C 
BRANCH  28  30
ATOM     29  C   LIG    1        6.441  -0.271  -0.355  0.00  0.00    +0.401 C 
ATOM     30  N   LIG    1        5.684  -0.919  -1.283  0.00  0.00    -0.279 N 
ATOM     31  H   LIG    1        5.469  -0.398  -2.122  0.00  0.00    +0.152 HD
ATOM     32  O   LIG    1        6.744  -0.722   0.736  0.00  0.00    -0.226 OA
BRANCH  29  33
ATOM     33  O   LIG    1        6.780   0.941  -0.847  0.00  0.00    -0.445 OA
BRANCH  33  35
ATOM     34  C   LIG    1        6.869   2.273   1.224  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1        7.589   1.857  -0.063  0.00  0.00    +0.107 C 
ATOM     36  C   LIG    1        7.751   3.096  -0.957  0.00  0.00    +0.055 C 
ATOM     37  C   LIG    1        8.977   1.272   0.220  0.00  0.00    +0.055 C 
ENDBRANCH  33  35
ENDBRANCH  29  33
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  24
TORSDOF 9