REMARK  Name = BDB015787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.107   0.994   1.642  0.00  0.00    +0.136 A 
ATOM      2  N   LIG    1        0.779   2.110   0.923  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1        1.458   3.383   0.892  0.00  0.00    +0.174 C 
ATOM      4  N   LIG    1       -0.357   1.958   0.215  0.00  0.00    -0.170 NA
ATOM      5  C   LIG    1       -0.828   0.750   0.565  0.00  0.00    +0.096 A 
ATOM      6  C   LIG    1        0.066   0.115   1.474  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.067   0.195   0.055  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -2.678  -0.880   0.593  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.860  -1.402   0.091  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.438  -2.564   0.750  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.514  -0.855  -1.011  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -5.559  -1.297  -1.484  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.864   0.347  -1.621  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.549   0.964  -2.797  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.719   0.812  -1.095  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.280   0.745   2.480  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.189   0.019   3.193  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.776   0.634   1.696  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        4.675   0.057   2.673  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        4.061   1.902   1.063  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.478  -0.599   0.424  0.00  0.00    +0.188 C 
BRANCH  21  23
ATOM     22  C   LIG    1        4.520  -1.979  -1.401  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        4.766  -0.945  -0.314  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5