REMARK  Name = BDB060499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.204   1.584  -1.113  0.00  0.00    +0.209 A 
ATOM      2  N   LIG    1        0.936   0.933  -1.418  0.00  0.00    -0.200 NA
ATOM      3  C   LIG    1        0.876  -0.343  -1.010  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -0.179  -0.967  -0.365  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1        0.109  -2.295  -0.128  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1        1.322  -2.466  -0.611  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1       -1.319  -0.183  -0.091  0.00  0.00    +0.151 A 
ATOM      8  N   LIG    1        1.838  -1.307  -1.130  0.00  0.00    -0.314 N 
ATOM      9  N   LIG    1       -1.306   1.114  -0.491  0.00  0.00    -0.203 NA
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -0.344   5.517  -2.233  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1       -0.296   4.112  -1.833  0.00  0.00    -0.097 C 
ATOM     12  C   LIG    1       -0.255   2.957  -1.504  0.00  0.00    -0.027 C 
ENDBRANCH   1  12
BRANCH   7  13
ATOM     13  N   LIG    1       -2.424  -0.717   0.579  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1       -2.386  -1.735   0.559  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.699  -0.139   0.205  0.00  0.00    +0.138 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.805  -0.900   0.897  0.00  0.00    -0.028 A 
ATOM     17  C   LIG    1       -5.041  -0.711   2.267  0.00  0.00    +0.043 A 
ATOM     18  C   LIG    1       -6.050  -1.426   2.903  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1       -6.269  -1.235   4.211  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -6.833  -2.336   2.204  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -6.602  -2.540   0.845  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -5.590  -1.828   0.195  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   7  13
BRANCH   8  23
ATOM     23  C   LIG    1        3.126  -1.162  -1.776  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.312  -0.811  -0.867  0.00  0.00    +0.097 C 
ATOM     25  C   LIG    1        4.223   0.571  -0.207  0.00  0.00    +0.158 C 
ATOM     26  C   LIG    1        5.209   0.567   0.967  0.00  0.00    +0.154 C 
ATOM     27  C   LIG    1        4.940  -0.709   1.756  0.00  0.00    +0.103 C 
ATOM     28  S   LIG    1        4.598  -1.990   0.507  0.00  0.00    -0.150 S 
BRANCH  25  29
ATOM     29  O   LIG    1        4.599   1.587  -1.139  0.00  0.00    -0.388 OA
ATOM     30  H   LIG    1        5.578   1.615  -1.114  0.00  0.00    +0.210 HD
ENDBRANCH  25  29
BRANCH  26  31
ATOM     31  O   LIG    1        6.547   0.605   0.442  0.00  0.00    -0.388 OA
ATOM     32  H   LIG    1        7.160   0.505   1.193  0.00  0.00    +0.210 HD
ENDBRANCH  26  31
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 8