REMARK  Name = BDB031544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.654  -0.789  -2.681  0.00  0.00    -0.291 NA
ATOM      2  C   LIG    1       -0.591  -1.298  -3.568  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        0.450  -0.395  -2.875  0.00  0.00    +0.201 C 
ATOM      4  C   LIG    1       -0.761   0.286  -2.201  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.928  -1.763  -1.609  0.00  0.00    +0.121 C 
BRANCH   5  16
ATOM      6  C   LIG    1       -8.151   0.874   2.669  0.00  0.00    +0.049 C 
ATOM      7  C   LIG    1       -7.076   0.436   1.726  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -7.359   0.610   0.264  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1       -8.412   1.095  -0.137  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1       -6.385   0.202  -0.610  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1       -6.588   0.323  -1.593  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -5.167  -0.348  -0.197  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1       -4.899  -0.506   1.161  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1       -3.751  -1.029   1.643  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1       -2.832  -1.406   0.723  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1       -2.998  -1.284  -0.657  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -4.208  -0.748  -1.118  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1       -5.908  -0.093   2.131  0.00  0.00    +0.038 A 
ENDBRANCH   5  16
ENDBRANCH   1   5
BRANCH   3  19
ATOM     19  O   LIG    1        1.389  -1.084  -2.014  0.00  0.00    -0.485 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.344  -0.355  -1.356  0.00  0.00    +0.139 A 
ATOM     21  C   LIG    1        3.243  -1.076  -0.574  0.00  0.00    +0.157 A 
ATOM     22  N   LIG    1        4.255  -0.527   0.139  0.00  0.00    -0.247 NA
ATOM     23  C   LIG    1        4.373   0.828   0.059  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1        3.524   1.634  -0.691  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1        2.492   1.028  -1.409  0.00  0.00    +0.049 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.500   1.445   0.829  0.00  0.00    +0.263 C 
ATOM     27  N   LIG    1        6.258   0.532   1.536  0.00  0.00    -0.307 N 
ATOM     28  H   LIG    1        5.970  -0.441   1.463  0.00  0.00    +0.149 HD
ATOM     29  O   LIG    1        5.702   2.654   0.805  0.00  0.00    -0.269 OA
BRANCH  27  30
ATOM     30  C   LIG    1        7.394   0.893   2.314  0.00  0.00    +0.073 C 
ATOM     31  C   LIG    1        8.314  -0.163   2.861  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1        8.780   0.736   1.753  0.00  0.00    +0.024 C 
ENDBRANCH  27  30
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6