REMARK  Name = BDB056269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.966  -0.183  -0.434  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.858  -1.550  -0.728  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.330  -2.232  -0.447  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -1.415  -1.544   0.106  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -1.309  -0.182   0.411  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -0.123   0.499   0.128  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.647  -2.296   0.428  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1       -3.874  -1.821  -0.034  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -4.044  -0.951  -1.190  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -5.112   0.110  -0.934  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -6.249  -0.365   0.005  0.00  0.00    +0.060 C 
ATOM     12  C   LIG    1       -6.369  -1.897  -0.073  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1       -5.064  -2.558   0.378  0.00  0.00    +0.109 C 
ATOM     14  O   LIG    1       -2.530  -3.306   1.118  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  N   LIG    1       -7.511   0.332  -0.316  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -7.422   1.789  -0.155  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -8.875   2.231  -0.211  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -9.664   1.049   0.333  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1       -8.639  -0.059   0.536  0.00  0.00    +0.085 C 
ENDBRANCH  11  15
ENDBRANCH   4   7
BRANCH   1  22
ATOM     20  N   LIG    1        3.391  -0.126  -0.674  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1        3.385  -1.027  -0.214  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        2.209   0.586  -0.717  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1        2.150   1.789  -0.936  0.00  0.00    -0.270 OA
BRANCH  20  30
ATOM     24  C   LIG    1       10.370   0.223   0.026  0.00  0.00    +0.105 C 
ATOM     25  N   LIG    1        9.177   0.200   0.869  0.00  0.00    -0.303 NA
ATOM     26  C   LIG    1        8.064  -0.526   0.228  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1        7.054   0.367  -0.534  0.00  0.00    +0.073 C 
ATOM     28  N   LIG    1        6.535   1.518   0.236  0.00  0.00    -0.295 NA
ATOM     29  C   LIG    1        5.098   1.326   0.439  0.00  0.00    +0.107 C 
ATOM     30  C   LIG    1        4.667   0.556  -0.811  0.00  0.00    +0.089 C 
ATOM     31  C   LIG    1        7.273   1.750   1.483  0.00  0.00    +0.100 C 
ATOM     32  C   LIG    1        5.825  -0.414  -1.007  0.00  0.00    +0.043 C 
ATOM     33  C   LIG    1        8.791   1.576   1.257  0.00  0.00    +0.099 C 
ENDBRANCH  20  30
ENDBRANCH   1  22
TORSDOF 4