REMARK  Name = BDB052140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.892  -1.751  -0.471  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.670  -0.593  -0.375  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -3.077  -0.658  -0.357  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.676  -1.921  -0.462  0.00  0.00    +0.050 A 
ATOM      5  N   LIG    1       -5.066  -2.028  -0.485  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -5.510  -2.933  -0.561  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.910  -0.960  -0.431  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -5.294   0.401  -0.323  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -6.325   1.498  -0.309  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -5.651   3.150  -0.639  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -4.201   3.023   0.426  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -3.288   1.892  -0.041  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -7.127  -1.119  -0.455  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.912  -3.084  -0.553  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -3.950   0.543  -0.245  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -1.523  -2.993  -0.554  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  17
ATOM     17  O   LIG    1        0.472  -1.817  -0.492  0.00  0.00    -0.489 OA
BRANCH  17  21
ATOM     18  N   LIG    1        3.837  -0.451   1.021  0.00  0.00    -0.302 NA
ATOM     19  C   LIG    1        2.763   0.522   1.214  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1        1.399  -0.120   0.984  0.00  0.00    +0.060 C 
ATOM     21  C   LIG    1        1.248  -0.611  -0.463  0.00  0.00    +0.176 C 
ATOM     22  C   LIG    1        2.609  -0.930  -1.101  0.00  0.00    +0.060 C 
ATOM     23  C   LIG    1        3.615  -1.415  -0.060  0.00  0.00    +0.088 C 
BRANCH  18  24
ATOM     24  C   LIG    1        5.182   0.126   1.064  0.00  0.00    +0.084 C 
BRANCH  24  26
ATOM     25  C   LIG    1        6.994   1.523   0.007  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        5.573   0.998  -0.137  0.00  0.00    +0.012 C 
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 4