REMARK  Name = BDB029534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.434  -1.207  -0.846  0.00  0.00    -0.315 N 
ATOM      2  C   LIG    1       -1.247  -1.815   0.216  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1       -2.040  -0.758   0.992  0.00  0.00    +0.035 C 
ATOM      4  C   LIG    1       -2.835   0.178   0.058  0.00  0.00    +0.058 C 
ATOM      5  C   LIG    1       -3.431   1.298   0.886  0.00  0.00    +0.226 C 
ATOM      6  O   LIG    1       -2.877   2.330   1.225  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1       -4.708   0.967   1.202  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -5.309   1.574   1.737  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -5.205   0.007   0.386  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1       -6.375  -0.332   0.322  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.100  -0.511  -0.491  0.00  0.00    +0.112 C 
ATOM     12  C   LIG    1       -1.929   0.736  -1.049  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -1.193  -0.380  -1.790  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        3.321   0.196   0.368  0.00  0.00    +0.077 A 
ATOM     15  C   LIG    1        2.351  -0.246   1.250  0.00  0.00    +0.127 A 
ATOM     16  N   LIG    1        1.131  -0.706   0.870  0.00  0.00    -0.240 NA
ATOM     17  C   LIG    1        0.819  -0.727  -0.444  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        1.761  -0.316  -1.391  0.00  0.00    +0.044 A 
ATOM     19  C   LIG    1        3.015   0.153  -0.987  0.00  0.00    +0.020 A 
BRANCH  14  20
ATOM     20  C   LIG    1        4.612   0.669   0.911  0.00  0.00    +0.340 C 
ATOM     21  O   LIG    1        4.878   0.681   2.102  0.00  0.00    -0.245 OA
BRANCH  20  23
ATOM     22  C   LIG    1        6.700   1.553   0.353  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1        5.428   1.077  -0.092  0.00  0.00    -0.464 OA
ENDBRANCH  20  23
ENDBRANCH  14  20
ENDBRANCH   1  17
TORSDOF 3