REMARK  Name = BDB025599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.232   0.972  -0.050  0.00  0.00    +0.165 C 
ATOM      2  N   LIG    1        1.108   0.086   0.217  0.00  0.00    -0.282 N 
ATOM      3  C   LIG    1        0.229  -0.251  -0.785  0.00  0.00    +0.266 C 
ATOM      4  O   LIG    1        0.279   0.242  -1.909  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.141  -0.416   1.586  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1        2.342   0.279   2.241  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1        2.626   1.478   1.332  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.339   0.411  -2.182  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1        4.241   1.003  -1.460  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1        3.854   1.862  -1.833  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1        3.409   0.209  -0.693  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1        3.633  -0.980  -0.473  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   3  13
ATOM     13  C   LIG    1       -0.848  -1.220  -0.428  0.00  0.00    +0.127 C 
ATOM     14  C   LIG    1       -0.536  -2.541  -0.533  0.00  0.00    -0.045 C 
ATOM     15  C   LIG    1       -1.492  -3.652  -0.170  0.00  0.00    +0.041 C 
ATOM     16  C   LIG    1        0.791  -3.064  -1.043  0.00  0.00    +0.041 C 
BRANCH  13  17
ATOM     17  N   LIG    1       -2.092  -0.683  -0.030  0.00  0.00    -0.215 N 
ATOM     18  N   LIG    1       -3.202  -1.369   0.393  0.00  0.00    -0.060 NA
ATOM     19  N   LIG    1       -4.170  -0.518   0.701  0.00  0.00    -0.134 NA
ATOM     20  C   LIG    1       -3.708   0.731   0.469  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1       -2.416   0.673   0.025  0.00  0.00    +0.140 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -4.525   2.021   0.691  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -5.900   2.120   0.084  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -4.777   2.947  -0.470  0.00  0.00    +0.010 C 
ENDBRANCH  20  22
ENDBRANCH  13  17
ENDBRANCH   3  13
BRANCH   6  25
ATOM     25  O   LIG    1        2.072   0.710   3.567  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1        1.299   1.300   3.553  0.00  0.00    +0.210 HD
ENDBRANCH   6  25
TORSDOF 5