REMARK  Name = BDB032957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.031   0.705   0.682  0.00  0.00    +0.074 C 
ATOM      2  C   LIG    1       -0.808   0.442   1.590  0.00  0.00    +0.126 C 
ATOM      3  N   LIG    1        0.458   0.706   0.895  0.00  0.00    -0.300 N 
ATOM      4  C   LIG    1        1.569  -0.065   1.222  0.00  0.00    +0.216 C 
ATOM      5  O   LIG    1        1.539  -0.908   2.119  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.448   1.737  -0.145  0.00  0.00    +0.108 C 
ATOM      7  C   LIG    1       -0.638   2.779   0.093  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -2.039   2.168   0.182  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -3.597   0.841   2.575  0.00  0.00    +0.105 C 
ATOM     10  N   LIG    1       -3.362   0.333   1.220  0.00  0.00    -0.301 NA
BRANCH  10  11
ATOM     11  C   LIG    1       -3.574  -1.132   1.158  0.00  0.00    +0.089 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.046  -1.580   1.271  0.00  0.00    +0.050 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.870  -1.270   0.043  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1       -6.409   0.008  -0.151  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -7.165   0.295  -1.289  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.388  -0.693  -2.246  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.853  -1.967  -2.067  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.096  -2.255  -0.929  0.00  0.00    +0.003 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  C   LIG    1        2.832   0.186   0.420  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.920  -0.826   0.769  0.00  0.00    +0.083 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.169  -0.600  -0.014  0.00  0.00    +0.109 A 
ATOM     22  N   LIG    1        6.317  -1.313   0.237  0.00  0.00    -0.342 N 
ATOM     23  H   LIG    1        6.425  -2.025   0.944  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1        7.287  -0.891  -0.635  0.00  0.00    +0.066 A 
ATOM     25  C   LIG    1        6.659   0.087  -1.397  0.00  0.00    +0.089 A 
ATOM     26  C   LIG    1        7.382   0.740  -2.405  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1        8.720   0.381  -2.612  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        9.325  -0.607  -1.830  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        8.618  -1.269  -0.818  0.00  0.00    +0.028 A 
ATOM     30  N   LIG    1        5.354   0.254  -1.001  0.00  0.00    -0.232 NA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 7