REMARK  Name = BDB020956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.658   0.011   0.019  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -3.517  -1.144  -0.899  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -2.331  -0.926  -1.853  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -1.084  -0.591  -1.152  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.112  -0.878  -1.800  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.155  -1.536  -2.840  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.218   0.451  -0.123  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -2.427   0.234   0.808  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -7.084  -0.213   2.410  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -6.621  -1.279   1.659  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -5.512  -1.231   0.880  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1       -4.805  -0.080   0.831  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -5.223   1.041   1.554  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -6.367   0.975   2.352  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1       -9.217  -0.442   3.857  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -8.262  -0.339   3.207  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1        1.382  -0.359  -1.150  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.626  -0.782  -1.924  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.905  -0.282  -1.299  0.00  0.00    +0.113 A 
ATOM     20  N   LIG    1        5.050  -0.661  -1.952  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        5.007  -1.234  -2.784  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1        6.306  -0.302  -1.534  0.00  0.00    +0.261 A 
ATOM     23  O   LIG    1        7.320  -0.648  -2.125  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1        6.355   0.527  -0.327  0.00  0.00    +0.083 A 
ATOM     25  C   LIG    1        5.148   0.865   0.267  0.00  0.00    +0.167 A 
ATOM     26  N   LIG    1        5.076   1.624   1.381  0.00  0.00    -0.236 NA
ATOM     27  C   LIG    1        6.245   2.054   1.909  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        7.493   1.760   1.376  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        7.550   0.978   0.229  0.00  0.00    +0.018 A 
ATOM     30  N   LIG    1        3.909   0.449  -0.235  0.00  0.00    -0.214 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5