REMARK  Name = BDB057902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.847  -0.241   2.157  0.00  0.00    +0.112 C 
ATOM      2  C   LIG    1        0.009   0.956   1.723  0.00  0.00    +0.046 C 
ATOM      3  C   LIG    1        1.493   0.625   1.786  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1        1.837  -0.553   0.990  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        3.144  -0.907   0.648  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        3.387  -1.922  -0.005  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.743  -1.432   0.578  0.00  0.00    +0.110 C 
ATOM      8  C   LIG    1       -0.278  -1.594   1.697  0.00  0.00    +0.046 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -4.105   0.159   0.696  0.00  0.00    +0.131 A 
ATOM     10  N   LIG    1       -4.329   0.360   2.035  0.00  0.00    -0.128 NA
ATOM     11  N   LIG    1       -3.171   0.230   2.671  0.00  0.00    -0.065 NA
ATOM     12  N   LIG    1       -2.233  -0.055   1.750  0.00  0.00    -0.248 N 
ATOM     13  C   LIG    1       -2.767  -0.104   0.498  0.00  0.00    +0.140 A 
BRANCH   9  16
ATOM     14  C   LIG    1       -7.391   0.538  -1.026  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -6.448   0.492   0.001  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -5.129   0.220  -0.331  0.00  0.00    +0.093 A 
ATOM     17  N   LIG    1       -4.724  -0.000  -1.610  0.00  0.00    -0.253 NA
ATOM     18  C   LIG    1       -5.660   0.052  -2.581  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1       -6.994   0.315  -2.344  0.00  0.00    +0.035 A 
BRANCH  14  21
ATOM     20  O   LIG    1       -9.695   0.878  -1.613  0.00  0.00    -0.245 OA
ATOM     21  C   LIG    1       -8.821   0.821  -0.768  0.00  0.00    +0.337 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -9.086   1.019   0.534  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1      -10.050   1.192   0.562  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH  14  21
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  24
ATOM     24  C   LIG    1        4.254  -0.004   1.173  0.00  0.00    +0.100 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.650  -0.409   0.694  0.00  0.00    +0.044 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.984   0.158  -0.667  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1        6.524   1.447  -0.786  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.817   1.978  -2.043  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.571   1.230  -3.192  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.031  -0.050  -3.085  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.738  -0.584  -1.829  0.00  0.00    +0.003 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 7