REMARK  Name = BDB020960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.180  -1.365  -0.449  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -2.484  -1.986  -1.595  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -0.988  -1.637  -1.614  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -0.302  -1.981  -0.363  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        1.071  -2.049  -0.213  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        1.602  -2.318   0.867  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.166  -2.187   0.803  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -2.385  -1.250   0.795  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -4.566  -1.405  -0.412  0.00  0.00    +0.116 C 
ATOM     10  N   LIG    1       -5.203  -2.087  -1.320  0.00  0.00    -0.286 NA
ATOM     11  H   LIG    1       -6.217  -2.023  -1.191  0.00  0.00    +0.188 HD
BRANCH   9  13
ATOM     12  C   LIG    1       -5.184   0.574   0.990  0.00  0.00    +0.108 C 
ATOM     13  C   LIG    1       -5.390  -0.700   0.613  0.00  0.00    +0.077 C 
BRANCH  12  15
ATOM     14  C   LIG    1       -4.188   2.867   0.595  0.00  0.00    +0.126 C 
ATOM     15  N   LIG    1       -4.194   1.421   0.504  0.00  0.00    -0.339 N 
ATOM     16  H   LIG    1       -3.730   1.045  -0.325  0.00  0.00    +0.146 HD
ENDBRANCH  12  15
BRANCH  12  17
ATOM     17  C   LIG    1       -6.074   1.131   1.973  0.00  0.00    +0.114 C 
ATOM     18  N   LIG    1       -6.801   1.578   2.760  0.00  0.00    -0.190 NA
ENDBRANCH  12  17
ENDBRANCH   9  13
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1        1.913  -1.752  -1.446  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.411  -1.773  -1.147  0.00  0.00    +0.083 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.841  -0.498  -0.459  0.00  0.00    +0.111 A 
ATOM     22  N   LIG    1        3.563  -0.409   0.878  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        3.042  -1.153   1.339  0.00  0.00    +0.170 HD
ATOM     24  C   LIG    1        3.839   0.702   1.633  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1        3.520   0.797   2.812  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1        4.533   1.790   0.924  0.00  0.00    +0.065 A 
ATOM     27  C   LIG    1        4.792   1.609  -0.438  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1        5.445   2.628  -1.134  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        5.830   3.803  -0.480  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.563   3.970   0.879  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        4.911   2.961   1.588  0.00  0.00    +0.015 A 
ATOM     32  N   LIG    1        4.417   0.445  -1.132  0.00  0.00    -0.234 NA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7