REMARK  Name = BDB018086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.381  -0.239   0.843  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1       -2.290  -0.419   1.912  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1       -0.910  -0.012   1.403  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1       -0.528  -0.757   0.201  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        0.786  -0.933  -0.227  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        1.060  -1.590  -1.231  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.606  -1.314  -0.617  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1       -2.851  -0.435  -0.584  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -4.011   1.149   0.958  0.00  0.00    +0.169 C 
ATOM     10  O   LIG    1       -3.320   2.122   1.266  0.00  0.00    -0.292 OA
BRANCH   9  14
ATOM     11  N   LIG    1       -7.557   1.032   0.169  0.00  0.00    -0.268 N 
ATOM     12  N   LIG    1       -7.469   2.337   0.482  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1       -6.186   2.505   0.795  0.00  0.00    +0.145 A 
ATOM     14  C   LIG    1       -5.432   1.315   0.678  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -6.353   0.383   0.242  0.00  0.00    +0.120 A 
BRANCH  11  17
ATOM     16  C   LIG    1       -8.935   0.232  -1.714  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1       -8.851   0.476  -0.209  0.00  0.00    +0.101 C 
ATOM     18  C   LIG    1       -9.191  -0.790   0.578  0.00  0.00    +0.032 C 
ENDBRANCH  11  17
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1        1.873  -0.245   0.595  0.00  0.00    +0.099 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.299  -0.466   0.048  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1        3.799  -1.873   0.404  0.00  0.00    +0.008 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.238   0.606   0.625  0.00  0.00    +0.078 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.625   0.564   0.024  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1        5.729   0.961  -1.280  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        4.918   1.264  -1.801  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        6.921   1.010  -1.957  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1        7.001   1.412  -3.113  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1        8.101   0.563  -1.199  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1        7.898   0.158   0.124  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1        9.000  -0.268   0.866  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       10.279  -0.286   0.295  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       10.466   0.126  -1.028  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        9.375   0.553  -1.781  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1        6.632   0.170   0.732  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7