REMARK  Name = BDB028632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.956  -0.643  -0.758  0.00  0.00    +0.188 A 
ATOM      2  C   LIG    1        0.290  -0.185  -0.256  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1        0.671  -1.167   0.633  0.00  0.00    +0.170 A 
ATOM      4  C   LIG    1        1.842  -1.135   1.379  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        2.691  -0.018   1.197  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        2.359   1.019   0.281  0.00  0.00    -0.038 A 
ATOM      7  O   LIG    1       -0.274  -2.141   0.661  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.137   0.925  -0.429  0.00  0.00    +0.019 A 
ATOM      9  N   LIG    1       -1.298  -1.814  -0.211  0.00  0.00    -0.061 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        3.245   2.237   0.087  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1        3.402   2.896  -1.267  0.00  0.00    +0.009 C 
ATOM     12  C   LIG    1        4.534   2.107  -0.692  0.00  0.00    +0.009 C 
ENDBRANCH   6  10
BRANCH   1  13
ATOM     13  N   LIG    1       -1.724   0.047  -1.686  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -1.494   1.010  -1.908  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -3.300  -0.355  -2.084  0.00  0.00    +0.081 S 
ATOM     16  O   LIG    1       -3.264  -1.675  -2.676  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -3.809   0.772  -2.844  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -4.025   0.734   0.327  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -4.165  -0.361  -0.540  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -4.993  -1.425  -0.169  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -5.654  -1.401   1.066  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -5.468  -0.336   1.945  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -4.650   0.730   1.578  0.00  0.00    +0.048 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -4.021   2.966  -0.262  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.229   1.801  -0.008  0.00  0.00    -0.493 OA
ENDBRANCH  18  25
BRANCH  20  26
ATOM     26  O   LIG    1       -5.282  -2.447  -1.029  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -4.648  -3.662  -0.623  0.00  0.00    +0.277 C 
ENDBRANCH  20  26
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  28
ATOM     28  C   LIG    1        3.963   0.037   2.027  0.00  0.00    +0.179 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.147  -0.452   1.328  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        6.326   0.183   1.511  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        7.192  -0.535   0.793  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        6.586  -1.641   0.173  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        5.266  -1.573   0.552  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8