REMARK  Name = BDB015700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.486  -0.225  -0.704  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.215   1.018  -1.106  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -0.026   1.439  -0.851  0.00  0.00    +0.320 A 
ATOM      4  N   LIG    1       -0.972   0.735  -0.214  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -0.640  -0.508   0.189  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.617  -1.031  -0.013  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.704  -1.254   0.906  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.869  -2.573   0.690  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.855  -3.308   1.329  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.959  -4.729   1.029  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.759  -2.737   2.224  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -4.644  -3.360   2.806  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.605  -1.265   2.454  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.574  -0.623   3.394  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.630  -0.598   1.816  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.835  -0.571  -0.972  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        3.242   0.244  -1.438  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.058  -1.924  -1.959  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        3.034  -1.449  -3.325  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.195  -3.001  -1.524  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.745  -2.366  -1.559  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.928  -2.731  -0.090  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.415  -2.181   0.047  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.336  -3.237   0.231  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -0.285   2.731  -1.253  0.00  0.00    -0.459 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.668   3.108  -1.227  0.00  0.00    +0.177 C 
ATOM     27  C   LIG    1       -1.849   4.163  -2.333  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -3.035   5.074  -2.055  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -2.841   5.867  -0.762  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -1.935   5.164   0.251  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -2.057   3.646   0.164  0.00  0.00    +0.044 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8