REMARK  Name = BDB023046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.267  -0.735   1.171  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.255  -1.729   0.132  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        1.421  -0.982  -0.493  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.948  -0.157   0.683  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.785   0.209   1.463  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1       -5.825   0.972  -0.366  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1       -5.027   0.111   0.183  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1       -3.602   0.406   0.218  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -2.812   1.488  -0.235  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -1.497   1.195   0.079  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1       -1.459  -0.029   0.715  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1       -2.740  -0.498   0.791  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1       -3.183  -1.655   1.316  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1       -2.600  -2.343   1.778  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -4.544  -1.870   1.259  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1       -5.443  -1.091   0.746  0.00  0.00    -0.215 NA
BRANCH   6  18
ATOM     17  C   LIG    1       -7.981   1.517  -0.924  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1       -7.160   0.531  -0.315  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1        0.732  -2.929   0.770  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        0.999  -3.522   0.040  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1        2.373  -1.892  -1.040  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1        2.820  -2.337  -0.296  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1        2.729   1.119   0.299  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.165   0.845  -0.102  0.00  0.00    -0.014 A 
ATOM     25  C   LIG    1        4.502   0.483  -1.417  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        5.827   0.225  -1.756  0.00  0.00    +0.159 A 
ATOM     27  F   LIG    1        6.129  -0.118  -3.016  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1        6.828   0.319  -0.799  0.00  0.00    +0.158 A 
ATOM     29  F   LIG    1        8.103   0.069  -1.127  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1        6.517   0.671   0.509  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1        5.189   0.932   0.858  0.00  0.00    +0.009 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1        2.059   1.845  -0.734  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1        2.633   2.593  -0.976  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7