REMARK  Name = BDB018400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.058   4.912   0.801  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.169   3.575   0.239  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.391   2.921   0.275  0.00  0.00    +0.253 A 
ATOM      4  O   LIG    1       -4.425   3.379   0.756  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.415   1.565  -0.324  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -2.314   0.980  -0.831  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1       -1.031   1.721  -0.769  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -1.030   2.968  -0.258  0.00  0.00    +0.099 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        0.203   1.135  -1.202  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        0.780  -0.006  -0.696  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        1.918  -0.216  -1.425  0.00  0.00    -0.267 N 
ATOM     12  N   LIG    1        2.142   0.752  -2.344  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        1.093   1.570  -2.204  0.00  0.00    +0.143 A 
BRANCH  11  14
ATOM     14  C   LIG    1        2.791  -1.381  -1.358  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.368  -1.580   0.022  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1        2.855  -2.570   0.874  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        3.384  -2.744   2.153  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.428  -1.932   2.594  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.941  -0.942   1.758  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.414  -0.764   0.478  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   7   9
BRANCH   6  21
ATOM     21  N   LIG    1       -2.344  -0.272  -1.443  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1       -1.438  -0.582  -1.801  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.239  -1.382  -1.151  0.00  0.00    +0.112 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.942  -2.007   0.207  0.00  0.00    +0.139 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.617  -2.729   0.220  0.00  0.00    +0.306 C 
ATOM     26  O   LIG    1       -0.964  -3.039  -0.764  0.00  0.00    -0.251 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -1.205  -3.039   1.472  0.00  0.00    -0.481 OA
ATOM     28  H   LIG    1       -1.806  -2.730   2.177  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 8