REMARK  Name = BDB018274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.981   2.219  -5.321  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        1.859   1.605  -4.009  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        2.853   0.747  -3.568  0.00  0.00    +0.253 A 
ATOM      4  O   LIG    1        3.869   0.464  -4.197  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        2.645   0.160  -2.224  0.00  0.00    +0.094 A 
ATOM      6  C   LIG    1        1.553   0.408  -1.472  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1        0.475   1.231  -2.085  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        0.696   1.796  -3.290  0.00  0.00    +0.099 A 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1        1.440  -0.088  -0.158  0.00  0.00    -0.328 N 
ATOM     10  C   LIG    1        2.198  -1.239   0.364  0.00  0.00    +0.119 C 
ATOM     11  C   LIG    1        1.740  -1.380   1.811  0.00  0.00    +0.116 C 
ATOM     12  C   LIG    1        1.540   0.074   2.211  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1        0.880   0.671   0.974  0.00  0.00    +0.106 C 
BRANCH  11  14
ATOM     14  C   LIG    1        2.757  -2.080   2.662  0.00  0.00    +0.309 C 
ATOM     15  O   LIG    1        3.103  -1.767   3.788  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1        3.248  -3.196   2.089  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1        3.856  -3.564   2.766  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   7  18
ATOM     18  C   LIG    1       -0.820   1.376  -1.491  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -1.693   0.354  -1.196  0.00  0.00    +0.117 A 
ATOM     20  N   LIG    1       -2.753   0.939  -0.563  0.00  0.00    -0.267 N 
ATOM     21  N   LIG    1       -2.681   2.290  -0.539  0.00  0.00    -0.179 NA
ATOM     22  C   LIG    1       -1.493   2.549  -1.095  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.857   0.249   0.090  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.403  -0.391   1.381  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1       -3.201  -1.777   1.463  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -2.744  -2.355   2.649  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.483  -1.558   3.761  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.680  -0.180   3.692  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.138   0.401   2.509  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   7  18
TORSDOF 6