REMARK  Name = BDB029880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.463  -0.698   0.055  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        1.278   0.056   0.048  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.045  -0.527   0.377  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        0.009  -1.880   0.719  0.00  0.00    +0.138 A 
ATOM      5  F   LIG    1       -1.156  -2.473   1.024  0.00  0.00    -0.204 F 
ATOM      6  C   LIG    1        1.175  -2.653   0.748  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        1.103  -4.111   1.090  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1        2.396  -2.055   0.404  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1        5.801   0.357  -0.813  0.00  0.00    -0.334 N 
ATOM     10  C   LIG    1        4.940  -0.662  -0.503  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1        3.720  -0.051  -0.295  0.00  0.00    +0.089 A 
ATOM     12  N   LIG    1        3.835   1.309  -0.478  0.00  0.00    -0.236 NA
ATOM     13  C   LIG    1        5.093   1.523  -0.788  0.00  0.00    +0.200 A 
BRANCH   9  14
ATOM     14  C   LIG    1        7.208   0.224  -1.143  0.00  0.00    +0.150 C 
BRANCH  14  15
ATOM     15  C   LIG    1        8.117   0.662   0.002  0.00  0.00    +0.181 C 
BRANCH  15  17
ATOM     16  C   LIG    1        8.957   2.557   1.133  0.00  0.00    +0.194 C 
ATOM     17  O   LIG    1        8.178   2.090   0.038  0.00  0.00    -0.381 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   1  11
BRANCH   3  18
ATOM     18  C   LIG    1       -1.175   0.323   0.339  0.00  0.00    +0.262 C 
ATOM     19  N   LIG    1       -2.368  -0.245   0.753  0.00  0.00    -0.228 N 
ATOM     20  H   LIG    1       -2.476  -1.262   0.794  0.00  0.00    +0.171 HD
ATOM     21  O   LIG    1       -1.128   1.487  -0.054  0.00  0.00    -0.269 OA
BRANCH  19  22
ATOM     22  N   LIG    1       -3.637   0.531   0.376  0.00  0.00    -0.112 NA
ATOM     23  H   LIG    1       -3.370   1.431  -0.059  0.00  0.00    +0.171 HD
BRANCH  22  24
ATOM     24  S   LIG    1       -4.674  -0.323  -0.677  0.00  0.00    +0.047 S 
ATOM     25  O   LIG    1       -4.502  -1.731  -0.376  0.00  0.00    -0.157 OA
ATOM     26  O   LIG    1       -4.449   0.199  -2.006  0.00  0.00    -0.157 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -6.284   0.205  -0.082  0.00  0.00    +0.154 C 
ATOM     28  C   LIG    1       -6.465   1.719  -0.174  0.00  0.00    +0.056 C 
ATOM     29  C   LIG    1       -7.882   2.104   0.222  0.00  0.00    +0.161 C 
ATOM     30  O   LIG    1       -8.833   1.408  -0.581  0.00  0.00    -0.380 OA
ATOM     31  C   LIG    1       -8.755  -0.006  -0.419  0.00  0.00    +0.161 C 
ATOM     32  C   LIG    1       -7.391  -0.516  -0.854  0.00  0.00    +0.056 C 
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH   3  18
TORSDOF 8