REMARK  Name = BDB025582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.537   0.308   1.225  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -1.295  -0.089   0.533  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.301  -0.410  -0.807  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1       -2.355  -0.310  -1.453  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1       -0.235  -0.319   1.505  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -0.980  -0.705   2.778  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -2.229   0.159   2.727  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.719   3.227  -0.934  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -3.446   1.920  -0.397  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1       -3.247   1.164  -1.055  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1       -2.956   1.760   0.882  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1       -2.878   2.691   1.681  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  O   LIG    1       -1.333  -2.088   2.724  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -1.841  -2.291   3.530  0.00  0.00    +0.210 HD
ENDBRANCH   6  13
BRANCH   3  15
ATOM     15  C   LIG    1       -0.051  -0.942  -1.522  0.00  0.00    +0.197 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.063  -0.015  -1.372  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        0.980   1.209  -1.935  0.00  0.00    -0.065 NA
ATOM     18  N   LIG    1        2.103   1.859  -1.662  0.00  0.00    -0.134 NA
ATOM     19  C   LIG    1        2.898   1.026  -0.938  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1        2.269  -0.179  -0.750  0.00  0.00    +0.134 A 
BRANCH  19  21
ATOM     21  C   LIG    1        4.306   1.392  -0.426  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        4.583   1.386   1.055  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1        4.494   2.689   0.317  0.00  0.00    +0.010 C 
ENDBRANCH  19  21
ENDBRANCH  15  16
BRANCH  15  24
ATOM     24  C   LIG    1        0.250  -2.443  -1.244  0.00  0.00    +0.016 C 
ATOM     25  C   LIG    1       -1.026  -3.295  -1.199  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1        1.178  -3.024  -2.323  0.00  0.00    +0.010 C 
ENDBRANCH  15  24
ENDBRANCH   3  15
TORSDOF 6