REMARK  Name = BDB002118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.695   1.479   1.153  0.00  0.00    -0.285 OA
ATOM      2  C   LIG    1       -1.510   1.559   0.842  0.00  0.00    +0.210 C 
ATOM      3  C   LIG    1       -0.939   2.885   0.565  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        0.423   3.036   0.357  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        0.953   4.312   0.109  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.115   5.427   0.068  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.253   5.275   0.279  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.323   1.873   0.402  0.00  0.00    +0.210 C 
ATOM      9  O   LIG    1        2.532   2.060   0.297  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1        0.724   0.496   0.550  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -1.780   4.007   0.529  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -0.612   0.357   0.738  0.00  0.00    +0.104 C 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        1.589  -0.626   0.480  0.00  0.00    -0.325 N 
ATOM     14  C   LIG    1        1.459  -1.623  -0.599  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1        2.648  -1.548  -1.550  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        3.962  -1.717  -0.796  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1        4.074  -0.679   0.315  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1        2.853  -0.698   1.233  0.00  0.00    +0.105 C 
ENDBRANCH  10  13
BRANCH  12  19
ATOM     19  N   LIG    1       -1.177  -0.898   0.999  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -0.435  -1.563   1.222  0.00  0.00    +0.152 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.189  -1.539   0.242  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -2.609  -2.814   0.655  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1       -3.611  -3.489  -0.041  0.00  0.00    +0.119 A 
ATOM     24  C   LIG    1       -4.218  -2.915  -1.148  0.00  0.00    +0.045 A 
ATOM     25  C   LIG    1       -3.831  -1.641  -1.555  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -2.829  -0.956  -0.859  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  O   LIG    1       -4.030  -4.729   0.342  0.00  0.00    -0.507 OA
ATOM     28  H   LIG    1       -3.604  -4.953   1.185  0.00  0.00    +0.292 HD
ENDBRANCH  23  27
ENDBRANCH  19  21
ENDBRANCH  12  19
TORSDOF 4