REMARK  Name = BDB029259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.039  -0.326   1.184  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -1.101  -1.851   1.366  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.144  -2.331   0.290  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        0.920  -1.240   0.313  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.169  -0.017   0.447  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1       -6.722   1.504  -0.428  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -5.656   0.942   0.460  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -4.314   0.795   0.080  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -3.540   1.058  -1.083  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -2.241   0.676  -0.819  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1       -2.196   0.196   0.467  0.00  0.00    -0.303 N 
ATOM     12  C   LIG    1       -3.451   0.257   1.024  0.00  0.00    +0.146 A 
ATOM     13  N   LIG    1       -3.767  -0.151   2.266  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -5.073   0.038   2.526  0.00  0.00    +0.223 A 
ATOM     15  N   LIG    1       -6.017   0.548   1.712  0.00  0.00    -0.240 NA
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  O   LIG    1       -0.586  -2.266   2.646  0.00  0.00    -0.385 OA
ATOM     17  H   LIG    1       -1.229  -1.962   3.316  0.00  0.00    +0.210 HD
ENDBRANCH   2  16
BRANCH   3  18
ATOM     18  O   LIG    1        0.393  -3.620   0.556  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1        0.406  -3.697   1.536  0.00  0.00    +0.210 HD
ENDBRANCH   3  18
BRANCH   4  20
ATOM     20  C   LIG    1        1.804  -1.270  -0.952  0.00  0.00    +0.176 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.879  -0.196  -0.906  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1        4.148  -0.457  -0.358  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        5.061   0.572  -0.328  0.00  0.00    -0.044 A 
ATOM     24  C   LIG    1        6.458   0.946   0.070  0.00  0.00    +0.040 C 
ATOM     25  C   LIG    1        6.122   2.374  -0.474  0.00  0.00    +0.040 C 
ATOM     26  C   LIG    1        4.767   1.824  -0.806  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1        3.541   2.129  -1.344  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        2.589   1.105  -1.391  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
BRANCH  20  29
ATOM     29  O   LIG    1        2.433  -2.545  -1.129  0.00  0.00    -0.385 OA
ATOM     30  H   LIG    1        1.832  -3.236  -0.784  0.00  0.00    +0.210 HD
ENDBRANCH  20  29
ENDBRANCH   4  20
TORSDOF 6