REMARK  Name = BDB002115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.313   0.763   0.520  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.681   2.091  -0.080  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1        0.107   3.029  -0.154  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -2.052   2.274  -0.585  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -3.004   1.276  -0.435  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -4.306   1.472  -0.920  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -4.648   2.669  -1.551  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.694   3.672  -1.700  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.664   0.009   0.230  0.00  0.00    +0.210 C 
ATOM     10  O   LIG    1       -3.524  -0.858   0.360  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1       -2.399   3.478  -1.218  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.252  -0.192   0.713  0.00  0.00    +0.103 C 
ENDROOT
BRANCH  12  13
ATOM     13  N   LIG    1       -0.917  -1.428   1.328  0.00  0.00    -0.321 N 
ATOM     14  C   LIG    1       -1.766  -1.966   2.428  0.00  0.00    +0.133 C 
ATOM     15  C   LIG    1       -2.341  -3.347   2.080  0.00  0.00    +0.178 C 
ATOM     16  O   LIG    1       -1.323  -4.334   1.845  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -0.135  -3.788   1.251  0.00  0.00    +0.178 C 
ATOM     18  C   LIG    1       -0.383  -2.505   0.447  0.00  0.00    +0.133 C 
ENDBRANCH  12  13
BRANCH   1  19
ATOM     19  N   LIG    1        0.989   0.581   1.002  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        0.995  -0.230   1.626  0.00  0.00    +0.152 HD
BRANCH  19  25
ATOM     21  C   LIG    1        5.945   0.595  -1.908  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        4.639   0.562  -1.173  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1        3.450   0.910  -1.820  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        2.234   0.918  -1.126  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        2.175   0.575   0.227  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1        3.379   0.265   0.877  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        4.597   0.256   0.189  0.00  0.00    +0.005 A 
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 3