REMARK  Name = BDB052266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.408   1.015   0.013  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.882   2.282  -0.403  0.00  0.00    -0.027 A 
ATOM      3  C   LIG    1       -2.345   2.650  -0.336  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        0.010   3.252  -0.906  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        1.364   2.919  -0.978  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        1.863   1.689  -0.578  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        3.271   1.766  -0.814  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1        3.613   2.959  -1.325  0.00  0.00    -0.173 NA
ATOM      9  N   LIG    1        2.452   3.624  -1.411  0.00  0.00    -0.276 N 
ATOM     10  H   LIG    1        2.469   4.568  -1.778  0.00  0.00    +0.189 HD
ATOM     11  C   LIG    1        0.963   0.726  -0.075  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -1.129  -1.234   0.903  0.00  0.00    +0.222 C 
ATOM     13  N   LIG    1       -1.344   0.077   0.512  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -2.304   0.387   0.530  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -0.042  -1.811   0.911  0.00  0.00    -0.275 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -2.361  -1.960   1.444  0.00  0.00    +0.135 C 
BRANCH  16  19
ATOM     17  C   LIG    1       -5.780  -0.269   1.472  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -4.551  -0.779   1.886  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1       -3.709  -1.448   0.975  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -4.113  -1.605  -0.364  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1       -5.345  -1.093  -0.772  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -6.168  -0.427   0.142  0.00  0.00    +0.049 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -6.370   0.523   3.636  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -6.678   0.404   2.252  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
BRANCH  20  25
ATOM     25  O   LIG    1       -3.226  -2.256  -1.176  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1       -3.568  -2.393  -2.549  0.00  0.00    +0.277 C 
ENDBRANCH  20  25
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH   7  27
ATOM     27  C   LIG    1        4.203   0.709  -0.543  0.00  0.00    +0.031 C 
ATOM     28  C   LIG    1        5.524   0.769  -0.789  0.00  0.00    +0.010 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.474  -0.313  -0.500  0.00  0.00    -0.025 A 
ATOM     30  C   LIG    1        7.770   0.020  -0.084  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        8.714  -0.977   0.176  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        8.375  -2.318   0.013  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.095  -2.662  -0.416  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        6.151  -1.665  -0.677  0.00  0.00    +0.008 A 
ENDBRANCH  28  29
ENDBRANCH   7  27
TORSDOF 7