REMARK  Name = BDB029883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.789  -0.027   1.414  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        1.148  -0.458   2.270  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        1.653   0.244   0.366  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        1.238   0.381  -0.783  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.104   0.351   0.677  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        3.618   0.130   1.955  0.00  0.00    +0.138 A 
ATOM      7  F   LIG    1        2.803  -0.210   2.967  0.00  0.00    -0.204 F 
ATOM      8  C   LIG    1        4.987   0.247   2.218  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1        5.516  -0.028   3.594  0.00  0.00    +0.047 C 
ATOM     10  C   LIG    1        5.856   0.573   1.166  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        5.369   0.801  -0.130  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        3.988   0.686  -0.360  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.250   1.147  -1.237  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        5.798   1.313  -2.528  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        6.857   1.619  -3.241  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.978   1.660  -2.466  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        9.305   1.965  -2.933  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        7.612   1.362  -1.183  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.624  -0.477   1.007  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.761  -0.289  -0.002  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -0.942  -2.116   1.345  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -0.029  -2.511   2.400  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -0.989  -2.820   0.084  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.589  -2.032   2.039  0.00  0.00    +0.191 C 
BRANCH  24  28
ATOM     25  C   LIG    1       -5.163   0.822  -1.091  0.00  0.00    +0.241 C 
ATOM     26  N   LIG    1       -5.010  -0.418  -0.467  0.00  0.00    -0.299 N 
ATOM     27  C   LIG    1       -3.748  -0.660   0.231  0.00  0.00    +0.113 C 
ATOM     28  C   LIG    1       -3.720  -1.985   1.008  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1       -5.073  -2.203   1.702  0.00  0.00    +0.008 C 
ATOM     30  C   LIG    1       -6.248  -2.177   0.719  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -5.897  -1.562  -0.633  0.00  0.00    +0.108 C 
ATOM     32  O   LIG    1       -4.298   1.694  -0.989  0.00  0.00    -0.273 OA
BRANCH  25  33
ATOM     33  C   LIG    1       -6.458   1.047  -1.893  0.00  0.00    +0.255 C 
BRANCH  33  35
ATOM     34  C   LIG    1       -7.755   2.520  -3.197  0.00  0.00    +0.194 C 
ATOM     35  O   LIG    1       -6.564   2.354  -2.443  0.00  0.00    -0.374 OA
ENDBRANCH  33  35
ENDBRANCH  25  33
ENDBRANCH  24  28
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8