REMARK  Name = BDB025576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.585   0.666  -0.224  0.00  0.00    +0.200 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -2.204  -0.572   0.125  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1       -1.672  -0.012  -1.117  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -0.444   0.575  -1.365  0.00  0.00    +0.241 C 
ATOM      5  O   LIG    1       -0.192   1.034  -2.481  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1       -2.668  -0.069  -2.178  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -3.816  -0.897  -1.607  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1       -3.713  -0.629  -0.108  0.00  0.00    +0.065 C 
BRANCH   2  12
ATOM      9  C   LIG    1       -1.528  -3.751   2.149  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1       -1.948  -2.448   1.691  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1       -2.334  -1.809   2.377  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1       -1.677  -1.997   0.413  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1       -1.094  -2.676  -0.427  0.00  0.00    -0.274 OA
ENDBRANCH   2  12
BRANCH   7  14
ATOM     14  O   LIG    1       -5.075  -0.477  -2.101  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -5.756  -1.083  -1.757  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1        0.783   2.176   0.248  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1        1.631   2.214   1.562  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        1.107   3.144   2.661  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        0.578   4.455   2.114  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -0.541   4.240   1.099  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -0.607   2.821   0.534  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        1.497   3.017  -0.843  0.00  0.00    +0.014 C 
ENDBRANCH   1  16
BRANCH   1  23
ATOM     23  N   LIG    1        1.780  -0.095  -0.600  0.00  0.00    -0.239 N 
ATOM     24  N   LIG    1        3.010   0.228  -0.146  0.00  0.00    -0.065 NA
ATOM     25  N   LIG    1        3.859  -0.714  -0.536  0.00  0.00    -0.134 NA
ATOM     26  C   LIG    1        3.145  -1.672  -1.167  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1        1.822  -1.313  -1.215  0.00  0.00    +0.134 A 
BRANCH  26  28
ATOM     28  C   LIG    1        3.761  -2.965  -1.732  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        4.025  -4.118  -0.792  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        2.939  -4.225  -1.822  0.00  0.00    +0.010 C 
ENDBRANCH  26  28
ENDBRANCH   1  23
TORSDOF 6