REMARK  Name = BDB028493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.041  -0.213   1.647  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1  14
ATOM      2  O   LIG    1       -2.531  -0.501   2.789  0.00  0.00    -0.253 OA
ATOM      3  C   LIG    1       -2.479  -0.352   1.571  0.00  0.00    +0.303 C 
ATOM      4  N   LIG    1       -3.605  -0.272   0.768  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1       -4.888  -0.396   1.452  0.00  0.00    +0.144 C 
ATOM      6  C   LIG    1       -6.086  -0.027   0.606  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -5.966   0.248  -0.768  0.00  0.00    -0.041 A 
ATOM      8  C   LIG    1       -7.103   0.589  -1.513  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -8.358   0.629  -0.906  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -8.485   0.339   0.450  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.609   0.238  -1.424  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -7.356   0.013   1.202  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -3.615  -0.625  -0.651  0.00  0.00    +0.114 C 
ATOM     14  N   LIG    1       -1.289  -0.248   0.900  0.00  0.00    -0.297 N 
ATOM     15  H   LIG    1       -1.312   0.426   0.146  0.00  0.00    +0.150 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1        1.166  -0.300   0.702  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1        1.087   0.794  -0.222  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        1.749   0.617  -0.912  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        2.480  -0.261   1.520  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.763  -0.369   0.806  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        4.279   0.917   0.323  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        5.571   0.805  -0.462  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        6.021  -0.432  -0.956  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        7.209  -0.497  -1.696  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.934   0.662  -1.968  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.483   1.892  -1.497  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.261  -1.692  -0.631  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        6.308   1.965  -0.749  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.811  -1.409  -0.221  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5