REMARK  Name = BDB051948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.379  -0.007  -0.188  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -0.028   0.916  -0.189  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.510  -1.069  -0.185  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -0.207  -2.246  -0.331  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.915  -0.666  -0.014  0.00  0.00    +0.063 A 
ATOM      6  C   LIG    1       -3.071  -1.425  -0.376  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -4.206  -0.681  -0.031  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -5.503  -1.175  -0.283  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -5.645  -2.428  -0.885  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.532  -3.180  -1.231  0.00  0.00    +0.001 A 
ATOM     11  N   LIG    1       -3.778   0.513   0.557  0.00  0.00    -0.287 N 
ATOM     12  C   LIG    1       -4.608   1.543   1.062  0.00  0.00    +0.229 C 
ATOM     13  O   LIG    1       -5.828   1.455   0.999  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1       -3.892   2.717   1.660  0.00  0.00    +0.113 C 
ATOM     15  C   LIG    1       -3.247  -2.690  -0.983  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -2.388   0.503   0.557  0.00  0.00    +0.108 A 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     17  C   LIG    1        3.856   1.236  -0.463  0.00  0.00    -0.045 A 
ATOM     18  C   LIG    1        4.587   0.044  -0.464  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        3.931  -1.190  -0.380  0.00  0.00    +0.061 A 
ATOM     20  C   LIG    1        2.532  -1.237  -0.290  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        1.786  -0.057  -0.285  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        2.458   1.173  -0.365  0.00  0.00    +0.027 A 
BRANCH  17  24
ATOM     23  C   LIG    1        4.900   3.102   0.848  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        4.562   2.566  -0.535  0.00  0.00    +0.032 C 
ENDBRANCH  17  24
BRANCH  19  25
ATOM     25  C   LIG    1        4.763  -2.419  -0.384  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1        5.977  -2.454  -0.470  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1        4.039  -3.545  -0.277  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1        4.703  -4.265  -0.296  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH   1  21
TORSDOF 5