REMARK  Name = BDB051892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.315  -1.018   0.056  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.398  -0.154   0.011  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1        1.190   0.830   0.098  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.393  -2.241   0.054  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -4.610   2.762   0.069  0.00  0.00    +0.113 C 
ATOM      6  C   LIG    1       -3.139   2.563  -0.074  0.00  0.00    +0.229 C 
ATOM      7  N   LIG    1       -2.623   1.254   0.085  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1       -3.253   0.043   0.399  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -2.257  -0.952   0.426  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.630  -2.286   0.720  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -3.960  -2.612   0.979  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.931  -1.626   0.952  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -0.993  -0.345   0.136  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1       -4.598  -0.298   0.665  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -1.265   0.991  -0.071  0.00  0.00    +0.108 A 
ATOM     16  O   LIG    1       -2.359   3.479  -0.321  0.00  0.00    -0.273 OA
ENDBRANCH   1  13
BRANCH   2  17
ATOM     17  C   LIG    1        2.765  -0.487  -0.108  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        3.685   0.568  -0.060  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        5.059   0.313  -0.177  0.00  0.00    +0.061 A 
ATOM     20  C   LIG    1        5.524  -0.986  -0.375  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        4.613  -2.038  -0.421  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        3.242  -1.789  -0.283  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  C   LIG    1        6.040   1.416  -0.126  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1        6.963   1.528  -0.911  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        5.819   2.257   0.907  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        5.165   1.937   1.556  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH   2  17
TORSDOF 4