REMARK  Name = BDB029878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.489   0.404   0.257  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        0.772   1.207   1.155  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.623   2.572   0.904  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        1.214   3.150  -0.217  0.00  0.00    +0.138 A 
ATOM      5  F   LIG    1        1.051   4.461  -0.470  0.00  0.00    -0.204 F 
ATOM      6  C   LIG    1        1.958   2.375  -1.109  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        2.599   3.016  -2.302  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1        2.095   0.999  -0.862  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1        2.127  -3.127   0.546  0.00  0.00    -0.334 N 
ATOM     10  C   LIG    1        2.500  -1.907   0.040  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1        1.534  -1.029   0.483  0.00  0.00    +0.089 A 
ATOM     12  N   LIG    1        0.562  -1.705   1.197  0.00  0.00    -0.236 NA
ATOM     13  C   LIG    1        0.953  -2.958   1.229  0.00  0.00    +0.200 A 
BRANCH   9  14
ATOM     14  C   LIG    1        2.840  -4.381   0.384  0.00  0.00    +0.150 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.135  -4.426   1.197  0.00  0.00    +0.181 C 
BRANCH  15  17
ATOM     16  C   LIG    1        6.366  -3.650   1.238  0.00  0.00    +0.194 C 
ATOM     17  O   LIG    1        5.165  -3.731   0.485  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       -0.171   3.387   1.839  0.00  0.00    +0.262 C 
ATOM     19  N   LIG    1       -1.237   4.098   1.326  0.00  0.00    -0.228 N 
ATOM     20  H   LIG    1       -1.864   4.501   2.029  0.00  0.00    +0.171 HD
ATOM     21  O   LIG    1        0.123   3.408   3.030  0.00  0.00    -0.269 OA
BRANCH  19  22
ATOM     22  N   LIG    1       -1.936   3.603   0.066  0.00  0.00    -0.112 NA
ATOM     23  H   LIG    1       -1.591   4.028  -0.808  0.00  0.00    +0.171 HD
BRANCH  22  24
ATOM     24  S   LIG    1       -3.630   3.633   0.114  0.00  0.00    +0.045 S 
ATOM     25  O   LIG    1       -4.056   4.238  -1.130  0.00  0.00    -0.157 OA
ATOM     26  O   LIG    1       -4.007   4.201   1.392  0.00  0.00    -0.157 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -4.077   1.900   0.107  0.00  0.00    +0.191 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.606   1.119  -1.135  0.00  0.00    +0.025 C 
ATOM     29  C   LIG    1       -2.241   0.450  -0.917  0.00  0.00    +0.086 C 
ATOM     30  N   LIG    1       -2.314  -0.542   0.155  0.00  0.00    -0.316 NA
ATOM     31  H   LIG    1       -1.379  -0.932   0.340  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -3.230  -1.630  -0.188  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1       -4.637  -1.105  -0.469  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1       -4.623   0.021  -1.502  0.00  0.00    +0.007 C 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH   3  18
TORSDOF 9