REMARK  Name = BDB054152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.573   4.107   2.152  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -1.439   3.156   2.225  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1       -1.266   2.016   1.452  0.00  0.00    -0.280 N 
ATOM      4  C   LIG    1       -2.010   1.565   0.335  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1       -2.174   0.192   0.075  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -1.721  -0.892   1.007  0.00  0.00    +0.077 C 
ATOM      7  N   LIG    1       -0.570  -0.945   1.584  0.00  0.00    -0.252 NA
ATOM      8  C   LIG    1        0.411   0.124   1.472  0.00  0.00    +0.263 C 
ATOM      9  C   LIG    1       -2.831  -0.209  -1.103  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.351   0.734  -1.988  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.209   2.089  -1.716  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.537   2.506  -0.566  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -0.155   1.399   1.987  0.00  0.00    +0.181 A 
ATOM     14  N   LIG    1        0.308   2.115   2.993  0.00  0.00    -0.130 NA
ATOM     15  N   LIG    1       -0.488   3.215   3.134  0.00  0.00    -0.134 NA
ENDROOT
BRANCH   6  16
ATOM     16  C   LIG    1       -2.665  -2.023   1.292  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.152  -3.316   1.447  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -3.011  -4.383   1.718  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.382  -4.159   1.845  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.896  -2.869   1.711  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -4.040  -1.799   1.440  0.00  0.00    +0.010 A 
ENDBRANCH   6  16
BRANCH   8  22
ATOM     22  N   LIG    1        0.867   0.197   0.116  0.00  0.00    -0.253 N 
ATOM     23  H   LIG    1        0.689  -0.612  -0.455  0.00  0.00    +0.154 HD
ATOM     24  C   LIG    1        1.994   0.872  -0.230  0.00  0.00    +0.402 C 
ATOM     25  O   LIG    1        2.597   1.665   0.471  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1        2.345   0.503  -1.484  0.00  0.00    -0.446 OA
BRANCH  26  27
ATOM     27  C   LIG    1        3.553   1.087  -1.986  0.00  0.00    +0.269 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.684   0.105  -1.831  0.00  0.00    -0.010 A 
ATOM     29  C   LIG    1        5.492   0.132  -0.686  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        6.527  -0.791  -0.528  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.761  -1.752  -1.510  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.956  -1.796  -2.647  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.920  -0.875  -2.806  0.00  0.00    +0.007 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   8  22
TORSDOF 5