REMARK  Name = BDB056792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.941   2.387   0.569  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.030   1.322   0.489  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.128   1.536  -0.269  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.399   2.743  -0.903  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.595   2.689  -1.569  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        2.078   1.478  -1.354  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -0.512   3.804  -0.792  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        1.210   0.741  -0.575  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        1.371  -0.622  -0.127  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -1.681   3.614  -0.044  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.101   2.305   1.310  0.00  0.00    -0.456 OA
BRANCH  11  18
ATOM     12  C   LIG    1       -5.474  -0.940  -1.543  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -5.053  -0.468  -0.177  0.00  0.00    -0.026 A 
ATOM     14  C   LIG    1       -5.440  -1.154   0.997  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.115  -0.601   2.256  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1       -5.600  -1.220   3.539  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1       -4.311   0.548   2.326  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1       -3.860   1.166   1.165  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -4.251   0.681  -0.081  0.00  0.00    +0.051 A 
BRANCH  14  20
ATOM     20  N   LIG    1       -6.323  -2.247   0.914  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1       -6.296  -2.860   1.722  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -6.253  -2.769   0.048  0.00  0.00    +0.142 HD
ENDBRANCH  14  20
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  C   LIG    1        3.380   0.974  -1.884  0.00  0.00    +0.303 C 
BRANCH  23  24
ATOM     24  O   LIG    1        4.228   0.759  -0.749  0.00  0.00    -0.484 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.323  -0.032  -0.989  0.00  0.00    +0.135 A 
ATOM     26  C   LIG    1        5.714  -0.936   0.013  0.00  0.00    +0.100 A 
ATOM     27  C   LIG    1        6.829  -1.762  -0.199  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1        7.565  -1.668  -1.379  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        7.194  -0.747  -2.356  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        6.080   0.073  -2.162  0.00  0.00    +0.046 A 
BRANCH  26  31
ATOM     31  C   LIG    1        4.976  -1.113   1.296  0.00  0.00    +0.340 C 
ATOM     32  O   LIG    1        5.051  -2.136   1.957  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1        4.236  -0.054   1.685  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        4.266   0.699   1.056  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 8