REMARK  Name = BDB025589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.841  -1.619  -0.982  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1        0.737  -0.894  -1.636  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.584  -0.798  -1.238  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1       -1.416  -0.297  -1.999  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1        1.121  -0.482  -2.982  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1        2.628  -0.719  -3.062  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1        2.828  -1.898  -2.117  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1        2.315   0.543   0.105  0.00  0.00    -0.314 N 
ATOM      9  H   LIG    1        1.471   0.842  -0.370  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1        2.551  -0.816   0.127  0.00  0.00    +0.234 C 
ATOM     11  O   LIG    1        3.346  -1.355   0.892  0.00  0.00    -0.274 OA
BRANCH   8  13
ATOM     12  C   LIG    1        2.616   2.852   0.861  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1        2.797   1.382   1.184  0.00  0.00    +0.101 C 
ENDBRANCH   8  13
ENDBRANCH   1  10
BRANCH   6  14
ATOM     14  O   LIG    1        3.045  -1.044  -4.376  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1        4.003  -1.216  -4.348  0.00  0.00    +0.210 HD
ENDBRANCH   6  14
BRANCH   3  16
ATOM     16  C   LIG    1       -0.975  -1.255   0.177  0.00  0.00    +0.200 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -1.121  -0.078   1.027  0.00  0.00    -0.239 N 
ATOM     18  N   LIG    1       -0.462  -0.027   2.203  0.00  0.00    -0.065 NA
ATOM     19  N   LIG    1       -0.697   1.160   2.747  0.00  0.00    -0.134 NA
ATOM     20  C   LIG    1       -1.502   1.853   1.896  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1       -1.786   1.090   0.792  0.00  0.00    +0.134 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.014   3.286   2.151  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -1.603   4.394   1.215  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -1.036   4.339   2.603  0.00  0.00    +0.010 C 
ENDBRANCH  20  22
ENDBRANCH  16  17
BRANCH  16  25
ATOM     25  C   LIG    1       -2.185  -2.252   0.224  0.00  0.00    -0.007 C 
ATOM     26  C   LIG    1       -2.333  -2.815   1.657  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -3.535  -1.629  -0.175  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1       -1.902  -3.446  -0.714  0.00  0.00    +0.013 C 
ENDBRANCH  16  25
ENDBRANCH   3  16
TORSDOF 7