REMARK  Name = BDB008639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.495   1.340  -1.193  0.00  0.00    +0.122 C 
ATOM      2  C   LIG    1       -1.705   2.601  -0.342  0.00  0.00    +0.035 C 
ENDROOT
BRANCH   1   8
ATOM      3  N   LIG    1        3.358   0.170  -0.298  0.00  0.00    -0.346 N 
ATOM      4  C   LIG    1        2.223   0.557  -0.983  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        2.604   0.810  -2.301  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        1.630   1.237  -3.207  0.00  0.00    +0.121 A 
ATOM      7  N   LIG    1        0.340   1.393  -2.816  0.00  0.00    -0.257 NA
ATOM      8  C   LIG    1       -0.020   1.127  -1.530  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1        3.998   0.548  -2.393  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        0.897   0.713  -0.565  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        4.432   0.144  -1.151  0.00  0.00    +0.087 A 
BRANCH   3  12
ATOM     12  C   LIG    1        3.399  -0.240   1.098  0.00  0.00    +0.124 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.376   0.918   2.099  0.00  0.00    +0.049 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.766   1.431   2.462  0.00  0.00    +0.161 C 
BRANCH  14  16
ATOM     15  C   LIG    1        6.696   2.481   1.611  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1        5.411   1.954   1.309  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  N   LIG    1       -2.199   0.124  -0.697  0.00  0.00    -0.288 N 
ATOM     18  C   LIG    1       -2.179  -0.210   0.661  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -1.514   0.422   1.492  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -3.099  -1.340   1.192  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1       -3.130  -2.552   0.442  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1       -4.007  -3.515   1.036  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -5.432  -2.961   1.174  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1       -5.469  -1.726   1.978  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -5.164  -1.946   2.927  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -4.517  -0.756   1.393  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1       -2.876  -0.691  -1.691  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -2.468  -0.798  -3.143  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -2.220  -1.945  -2.220  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 8