REMARK  Name = BDB028658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.953   1.688  -0.126  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -0.157   0.900   0.729  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -0.745  -0.103   1.473  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1        0.206  -0.732   2.213  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1        1.440  -0.152   1.968  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1       -2.101  -0.408   1.451  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.906   0.373   0.603  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        1.214   0.827   1.088  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1       -2.331   1.401  -0.173  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -1.130   3.527  -1.632  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -0.317   2.661  -0.848  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1        2.192   1.656   0.561  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1        1.923   2.345  -0.140  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1        3.786   1.677   1.020  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        3.885   1.792   2.458  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        4.436   2.643   0.158  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        4.380   0.081   0.527  0.00  0.00    +0.114 A 
ATOM     18  C   LIG    1        4.635  -0.897   1.492  0.00  0.00    +0.067 A 
ATOM     19  C   LIG    1        5.123  -2.132   1.082  0.00  0.00    +0.128 A 
ATOM     20  F   LIG    1        5.366  -3.081   1.996  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        5.368  -2.402  -0.259  0.00  0.00    +0.076 A 
ATOM     22  C   LIG    1        5.122  -1.411  -1.201  0.00  0.00    +0.128 A 
ATOM     23  F   LIG    1        5.360  -1.658  -2.495  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        4.634  -0.165  -0.825  0.00  0.00    +0.067 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  25
ATOM     25  C   LIG    1       -4.390   0.090   0.518  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.659  -1.123  -0.240  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1       -4.870  -2.289   0.405  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1       -5.091  -3.161  -0.582  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1       -5.036  -2.559  -1.852  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -4.761  -1.236  -1.599  0.00  0.00    +0.108 A 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 6