REMARK  Name = BDB025595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.599  -0.922  -0.243  0.00  0.00    +0.197 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -3.198  -0.055  -0.057  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1       -1.766  -0.139   0.298  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -0.882  -0.718  -0.585  0.00  0.00    +0.241 C 
ATOM      5  O   LIG    1       -1.271  -1.057  -1.710  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1       -1.575   0.196   1.707  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -2.947  -0.036   2.338  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1       -3.909   0.370   1.236  0.00  0.00    +0.065 C 
BRANCH   2  12
ATOM      9  C   LIG    1       -2.705   3.069  -2.197  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1       -2.599   2.049  -1.187  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1       -1.699   1.889  -0.754  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1       -3.494   0.994  -1.148  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1       -4.529   0.974  -1.812  0.00  0.00    -0.274 OA
ENDBRANCH   2  12
BRANCH   7  14
ATOM     14  O   LIG    1       -3.138  -1.419   2.634  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -2.561  -1.645   3.384  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1        0.916  -2.035   0.793  0.00  0.00    +0.023 C 
ATOM     17  C   LIG    1        0.019  -3.274   0.578  0.00  0.00    +0.006 C 
ATOM     18  C   LIG    1        0.626  -4.526   1.199  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1        1.960  -4.887   0.544  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1        2.701  -3.677  -0.025  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1        2.421  -2.413   0.780  0.00  0.00    +0.006 C 
ENDBRANCH   1  16
BRANCH   1  22
ATOM     22  N   LIG    1        1.219   0.373  -0.003  0.00  0.00    -0.239 N 
ATOM     23  N   LIG    1        1.433   0.835   1.243  0.00  0.00    -0.064 NA
ATOM     24  N   LIG    1        1.949   2.052   1.135  0.00  0.00    -0.126 NA
ATOM     25  C   LIG    1        2.076   2.343  -0.194  0.00  0.00    +0.147 A 
ATOM     26  C   LIG    1        1.619   1.283  -0.941  0.00  0.00    +0.142 A 
BRANCH  25  27
ATOM     27  C   LIG    1        2.641   3.679  -0.739  0.00  0.00    +0.156 A 
ATOM     28  O   LIG    1        3.071   4.709   0.051  0.00  0.00    -0.461 OA
ATOM     29  C   LIG    1        3.492   5.704  -0.769  0.00  0.00    +0.196 A 
ATOM     30  C   LIG    1        3.341   5.337  -2.085  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        2.792   4.031  -2.067  0.00  0.00    +0.051 A 
ENDBRANCH  25  27
ENDBRANCH   1  22
TORSDOF 6