REMARK  Name = BDB008547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.195  -0.396  -1.891  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        1.300  -0.840  -0.950  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        1.038  -2.160  -1.298  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        0.143  -2.907  -0.516  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -0.464  -2.297   0.591  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -0.208  -0.958   0.938  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        1.830  -2.402  -2.452  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1        1.935  -3.658  -3.232  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1        0.705  -0.218   0.161  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        2.538  -1.323  -2.806  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.898  -0.365   2.171  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1       -0.568   1.091   2.517  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.360  -0.633   2.206  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -3.291  -0.279   1.223  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -4.414  -0.803   1.200  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -2.930   0.808   0.197  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -3.014   2.091   0.852  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -3.584   3.118   0.034  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -3.166   2.993  -1.438  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -3.579   1.725  -2.060  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -4.423   1.866  -2.616  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.869   0.705  -1.028  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -2.817  -1.513   3.271  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -2.488  -1.271   4.723  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -3.885  -1.057   4.235  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   6  11
BRANCH   1  26
ATOM     26  C   LIG    1        2.777   0.928  -1.989  0.00  0.00    +0.146 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.982   1.134  -1.079  0.00  0.00    +0.051 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.146   0.202  -1.409  0.00  0.00    +0.161 C 
BRANCH  28  30
ATOM     29  C   LIG    1        7.128   1.493  -1.171  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        6.272   0.519  -0.587  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8