REMARK  Name = BDB018535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.021   6.373  -1.212  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        1.260   5.183  -0.863  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        0.008   5.327  -0.282  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -0.538   6.396  -0.026  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -0.699   4.063   0.042  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -0.142   2.863  -0.205  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1        1.200   2.783  -0.818  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        1.821   3.943  -1.114  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -0.957   1.692   0.156  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -1.502   0.840  -0.778  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1       -2.180  -0.285  -0.466  0.00  0.00    -0.222 NA
ATOM     12  C   LIG    1       -2.335  -0.584   0.835  0.00  0.00    +0.218 A 
ATOM     13  N   LIG    1       -1.844   0.191   1.818  0.00  0.00    -0.222 NA
ATOM     14  C   LIG    1       -1.177   1.308   1.461  0.00  0.00    +0.124 A 
BRANCH  12  15
ATOM     15  N   LIG    1       -2.978  -1.745   1.173  0.00  0.00    -0.300 N 
ATOM     16  C   LIG    1       -3.830  -2.417   0.204  0.00  0.00    +0.108 C 
ATOM     17  C   LIG    1       -4.914  -3.080   1.059  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -4.260  -3.226   2.425  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1       -3.433  -1.949   2.536  0.00  0.00    +0.108 C 
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  20
ATOM     20  C   LIG    1        1.832   1.526  -1.111  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        1.886   0.410  -0.307  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1        2.533  -0.584  -1.017  0.00  0.00    -0.238 N 
ATOM     23  N   LIG    1        2.988  -0.108  -2.195  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1        2.548   1.148  -2.260  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1        2.700  -1.951  -0.647  0.00  0.00    +0.085 A 
ATOM     26  C   LIG    1        3.588  -2.810  -1.328  0.00  0.00    +0.112 A 
ATOM     27  C   LIG    1        3.670  -4.149  -0.920  0.00  0.00    +0.143 A 
ATOM     28  F   LIG    1        4.510  -4.994  -1.537  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1        2.903  -4.647   0.129  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        2.029  -3.803   0.800  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        1.926  -2.463   0.417  0.00  0.00    +0.029 A 
BRANCH  26  32
ATOM     32  C   LIG    1        4.472  -2.416  -2.389  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        5.230  -2.158  -3.232  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH   7  20
TORSDOF 5