REMARK  Name = BDB018948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.123  -2.249   0.063  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -0.882  -1.243   0.097  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.109  -1.392  -0.571  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.079  -0.377  -0.499  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.870   0.786   0.260  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -1.662   0.943   0.955  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.399  -2.607  -1.411  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.454  -3.749  -1.080  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.699  -0.085   0.876  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.028  -3.220  -1.036  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        4.223   0.210  -1.048  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1        3.379  -0.729  -0.384  0.00  0.00    +0.103 A 
ATOM     13  C   LIG    1        4.154  -1.439   0.536  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        3.595  -2.445   1.326  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        2.240  -2.691   1.132  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        1.515  -1.950   0.197  0.00  0.00    +0.126 A 
ATOM     17  N   LIG    1        5.434  -0.950   0.441  0.00  0.00    -0.348 N 
ATOM     18  C   LIG    1        6.564  -1.416   1.214  0.00  0.00    +0.149 C 
ATOM     19  N   LIG    1        2.059  -0.980  -0.563  0.00  0.00    -0.229 NA
ATOM     20  C   LIG    1        5.492   0.022  -0.517  0.00  0.00    +0.101 A 
BRANCH  11  24
ATOM     21  C   LIG    1        1.686   1.900  -1.268  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        2.776   1.835  -2.209  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1        2.724   2.419  -3.032  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.961   1.152  -2.127  0.00  0.00    +0.247 C 
ATOM     25  O   LIG    1        4.817   1.397  -2.979  0.00  0.00    -0.270 OA
ENDBRANCH  11  24
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -3.929   1.774   0.281  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -4.596   2.195   1.411  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -5.526   3.099   0.987  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -6.449   3.843   1.808  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -5.547   3.263  -0.350  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -4.569   2.458  -0.776  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -1.342   2.160   1.783  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -2.015   2.194   2.968  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -1.607   3.340   1.156  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4