REMARK  Name = BDB008936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.081  -1.219  -1.164  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.254  -0.627  -1.653  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.431  -1.377  -1.796  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.406  -2.739  -1.463  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.243  -3.329  -0.964  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.083  -2.571  -0.806  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.002   0.843  -0.825  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.127  -0.362  -1.011  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.346  -0.998  -1.122  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        2.373  -1.940  -1.487  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.596  -0.253  -1.097  0.00  0.00    +0.120 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.971   0.237   0.316  0.00  0.00    +0.103 C 
BRANCH  12  13
ATOM     13  N   LIG    1        5.291   0.892   0.383  0.00  0.00    -0.301 NA
ATOM     14  C   LIG    1        6.395  -0.035   0.084  0.00  0.00    +0.084 C 
ATOM     15  C   LIG    1        7.733   0.349   0.731  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1        7.885   1.858   0.837  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1        6.720   2.472   1.616  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1        5.481   1.569   1.667  0.00  0.00    +0.084 C 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -3.686  -0.729  -2.337  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.910  -0.935  -1.448  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -5.153  -0.011  -0.295  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -4.193   1.102   0.020  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.434   1.747   1.388  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.920   1.962   1.645  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.681   0.636   1.586  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -6.265  -0.228   0.428  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -7.163  -1.361   0.092  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -8.175  -1.600   0.743  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -6.792  -2.120  -0.984  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -7.396  -2.896  -1.232  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -5.693  -1.926  -1.759  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6