REMARK  Name = BDB036001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.059  -1.149  -1.008  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.829  -0.599  -0.075  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.167  -1.037   0.029  0.00  0.00    -0.035 A 
ATOM      4  C   LIG    1       -2.592  -2.056  -0.834  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.711  -2.613  -1.763  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.393  -2.161  -1.851  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.416  -0.995  -1.854  0.00  0.00    +0.267 C 
ATOM      8  N   LIG    1        1.365  -0.634  -1.032  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1        1.592   0.103  -0.368  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.411  -1.842  -2.739  0.00  0.00    -0.268 OA
BRANCH   7  16
ATOM     11  C   LIG    1        7.199   0.119  -2.687  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1        5.897   0.298  -1.967  0.00  0.00    +0.042 A 
ATOM     13  N   LIG    1        5.849   1.231  -0.992  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1        4.690   1.411  -0.324  0.00  0.00    +0.133 A 
ATOM     15  N   LIG    1        3.576   0.709  -0.588  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1        3.667  -0.217  -1.574  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1        4.807  -0.468  -2.301  0.00  0.00    +0.056 A 
BRANCH  14  18
ATOM     18  C   LIG    1        4.642   2.457   0.761  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1        4.128   2.104   2.140  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1        5.589   2.374   1.938  0.00  0.00    +0.012 C 
ENDBRANCH  14  18
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -3.066  -0.355   1.061  0.00  0.00    +0.090 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.321   1.097   0.747  0.00  0.00    +0.141 A 
ATOM     23  N   LIG    1       -3.761   1.634  -0.439  0.00  0.00    -0.320 N 
ATOM     24  C   LIG    1       -4.075   0.969  -1.674  0.00  0.00    +0.151 C 
ATOM     25  C   LIG    1       -3.832   2.980  -0.241  0.00  0.00    +0.224 A 
ATOM     26  N   LIG    1       -3.465   3.268   0.983  0.00  0.00    -0.138 NA
ATOM     27  N   LIG    1       -3.141   2.088   1.603  0.00  0.00    -0.134 NA
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  C   LIG    1       -4.389  -1.098   1.329  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -4.286  -2.481   2.043  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -4.545  -1.760   3.377  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -5.214  -0.635   2.571  0.00  0.00    +0.004 C 
ENDBRANCH  21  28
ENDBRANCH   3  21
TORSDOF 6