REMARK  Name = BDB042533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.700   0.602  -0.692  0.00  0.00    -0.041 C 
ATOM      2  C   LIG    1       -2.604   0.535   0.339  0.00  0.00    +0.054 C 
ATOM      3  C   LIG    1       -1.237   0.865  -0.264  0.00  0.00    +0.113 C 
ATOM      4  N   LIG    1       -1.015   0.148  -1.521  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        0.227  -0.321  -1.941  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.435  -0.659  -3.107  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -2.021   0.333  -2.561  0.00  0.00    +0.135 C 
ATOM      8  C   LIG    1       -3.402   0.510  -2.002  0.00  0.00    -0.004 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -7.743   1.047   0.698  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -6.880   0.142   1.320  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1       -5.565  -0.004   0.863  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -5.094   0.747  -0.224  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1       -5.969   1.657  -0.836  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -7.284   1.806  -0.381  0.00  0.00    +0.019 A 
BRANCH   9  16
ATOM     15  N   LIG    1      -10.179   1.322   1.545  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -9.089   1.198   1.165  0.00  0.00    +0.099 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1        1.321  -0.414  -0.892  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.595  -1.045  -1.456  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.689  -1.120  -0.420  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1        3.549  -2.066   0.571  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        2.745  -2.683   0.576  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1        4.447  -2.279   1.594  0.00  0.00    +0.257 A 
ATOM     23  O   LIG    1        4.259  -3.134   2.451  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1        5.652  -1.416   1.601  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        5.802  -0.456   0.586  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1        6.936   0.363   0.582  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        7.902   0.220   1.581  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        7.733  -0.738   2.578  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1        8.666  -0.865   3.530  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        6.616  -1.561   2.601  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1        4.772  -0.327  -0.448  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5