REMARK  Name = BDB018545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.170  -5.931   2.174  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.630  -4.637   1.784  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        0.645  -4.280   2.204  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        1.388  -4.981   2.885  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.116  -2.942   1.770  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.336  -2.133   1.030  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.014  -2.569   0.635  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.421  -3.792   1.026  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        0.937  -0.847   0.630  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.999   0.233   1.503  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1        1.504   1.447   1.178  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        1.990   1.611  -0.067  0.00  0.00    +0.119 A 
ATOM     13  C   LIG    1        1.955   0.591  -1.011  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        1.428  -0.651  -0.659  0.00  0.00    +0.013 A 
BRANCH  12  15
ATOM     15  N   LIG    1        2.478   2.880  -0.352  0.00  0.00    -0.329 N 
ATOM     16  H   LIG    1        2.374   3.394   0.521  0.00  0.00    +0.147 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.835   2.967  -0.872  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.846   2.671   0.197  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1        5.367   1.272   0.416  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        6.265   2.321  -0.177  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  21
ATOM     21  C   LIG    1       -1.874  -1.732  -0.146  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -2.282  -0.455   0.165  0.00  0.00    +0.123 A 
ATOM     23  N   LIG    1       -3.079  -0.011  -0.867  0.00  0.00    -0.238 N 
ATOM     24  N   LIG    1       -3.180  -0.965  -1.837  0.00  0.00    -0.174 NA
ATOM     25  C   LIG    1       -2.471  -1.999  -1.385  0.00  0.00    +0.143 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -3.737   1.248  -1.045  0.00  0.00    +0.085 A 
ATOM     27  C   LIG    1       -3.948   2.188  -0.020  0.00  0.00    +0.112 A 
ATOM     28  C   LIG    1       -4.571   3.405  -0.335  0.00  0.00    +0.143 A 
ATOM     29  F   LIG    1       -4.788   4.318   0.624  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1       -4.998   3.703  -1.625  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1       -4.820   2.770  -2.635  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.199   1.552  -2.348  0.00  0.00    +0.029 A 
BRANCH  27  33
ATOM     33  C   LIG    1       -3.654   1.974   1.364  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1       -3.429   1.784   2.487  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  23  26
ENDBRANCH   7  21
TORSDOF 7