REMARK  Name = BDB019686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.458  -0.595   0.164  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -1.316  -1.694   0.004  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -2.485  -1.624  -0.768  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -2.764  -0.385  -1.370  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.940   0.746  -1.204  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1       -0.777   0.626  -0.436  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.321  -2.714  -0.926  0.00  0.00    -0.325 N 
ATOM      8  C   LIG    1       -4.276  -2.825  -2.040  0.00  0.00    +0.133 C 
ATOM      9  C   LIG    1       -4.541  -4.304  -2.366  0.00  0.00    +0.178 C 
ATOM     10  O   LIG    1       -5.078  -5.055  -1.269  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1       -4.654  -4.569   0.013  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1       -3.288  -3.862  -0.001  0.00  0.00    +0.133 C 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     13  N   LIG    1        1.806   0.079   0.738  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1        1.825   0.654  -0.094  0.00  0.00    +0.150 HD
ATOM     15  C   LIG    1        0.762  -0.769   1.002  0.00  0.00    +0.245 C 
ATOM     16  O   LIG    1        0.802  -1.648   1.856  0.00  0.00    -0.270 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.084  -0.001   1.423  0.00  0.00    +0.125 C 
BRANCH  17  21
ATOM     18  C   LIG    1        7.856  -0.747  -0.054  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        6.491  -0.174  -0.287  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1        5.467  -0.374   0.641  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        4.214   0.198   0.411  0.00  0.00    +0.062 A 
ATOM     22  N   LIG    1        3.951   0.963  -0.689  0.00  0.00    -0.258 NA
ATOM     23  C   LIG    1        4.964   1.154  -1.561  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        6.232   0.619  -1.405  0.00  0.00    +0.023 A 
ENDBRANCH  17  21
BRANCH  17  25
ATOM     25  C   LIG    1        3.208   1.042   2.515  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        2.035   1.489   3.361  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        2.653   2.442   2.374  0.00  0.00    +0.006 C 
ENDBRANCH  17  25
ENDBRANCH  13  17
ENDBRANCH   1  15
BRANCH   5  28
ATOM     28  C   LIG    1       -2.306   2.048  -1.875  0.00  0.00    +0.158 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.345   3.171  -0.949  0.00  0.00    -0.330 N 
ATOM     30  C   LIG    1       -3.295   3.424   0.015  0.00  0.00    +0.107 A 
ATOM     31  C   LIG    1       -4.441   2.528   0.315  0.00  0.00    +0.086 C 
ATOM     32  N   LIG    1       -3.034   4.560   0.631  0.00  0.00    -0.241 NA
ATOM     33  C   LIG    1       -1.893   5.050   0.056  0.00  0.00    +0.130 A 
ATOM     34  C   LIG    1       -1.450   4.209  -0.934  0.00  0.00    +0.107 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7