REMARK  Name = BDB057787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.072   0.717  -0.758  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.042   0.001  -1.653  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1        0.316   0.708  -1.625  0.00  0.00    +0.085 C 
ATOM      4  N   LIG    1        0.832   0.816  -0.250  0.00  0.00    -0.302 NA
ATOM      5  C   LIG    1       -0.105   1.586   0.584  0.00  0.00    +0.085 C 
ATOM      6  C   LIG    1       -1.482   0.918   0.648  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.511   0.081  -0.812  0.00  0.00    +0.096 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.481   0.932   0.032  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -4.820   2.232  -0.410  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -5.676   3.061   0.319  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -6.213   2.615   1.520  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.888   1.347   1.987  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.029   0.518   1.254  0.00  0.00    +0.006 A 
ENDBRANCH   7   8
BRANCH   7  15
ATOM     14  C   LIG    1       -2.865  -2.109   0.555  0.00  0.00    +0.010 C 
ATOM     15  C   LIG    1       -3.565  -1.490  -0.659  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -4.983  -2.079  -0.797  0.00  0.00    +0.010 C 
ENDBRANCH   7  15
BRANCH   7  17
ATOM     17  O   LIG    1       -3.928   0.281  -2.196  0.00  0.00    -0.383 OA
ATOM     18  H   LIG    1       -4.900   0.324  -2.200  0.00  0.00    +0.211 HD
ENDBRANCH   7  17
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1        2.164   1.441  -0.214  0.00  0.00    +0.087 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.283   0.585  -0.815  0.00  0.00    +0.056 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.376  -0.801  -0.180  0.00  0.00    +0.230 C 
BRANCH  21  22
ATOM     22  O   LIG    1        4.496  -1.517  -0.710  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1        5.704  -1.414  -0.082  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        6.020  -0.555   0.970  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        7.311  -0.553   1.514  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        8.293  -1.409   1.008  0.00  0.00    +0.052 A 
ATOM     27  C   LIG    1        7.981  -2.266  -0.049  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        6.692  -2.264  -0.589  0.00  0.00    +0.047 A 
BRANCH  26  29
ATOM     29  C   LIG    1        9.613  -1.404   1.568  0.00  0.00    +0.099 C 
ATOM     30  N   LIG    1       10.681  -1.397   2.023  0.00  0.00    -0.191 NA
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 10