REMARK  Name = BDB034887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.096  -2.655   1.906  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1        1.021  -2.427   0.894  0.00  0.00    +0.025 A 
ATOM      3  N   LIG    1        0.831  -1.218   0.189  0.00  0.00    -0.323 N 
ATOM      4  C   LIG    1       -0.229  -1.269  -0.729  0.00  0.00    +0.166 A 
ATOM      5  N   LIG    1       -0.614  -0.309  -1.507  0.00  0.00    -0.152 NA
ATOM      6  S   LIG    1       -0.997  -2.881  -0.631  0.00  0.00    -0.060 S 
ATOM      7  C   LIG    1        0.142  -3.393   0.573  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.695  -0.025   0.209  0.00  0.00    +0.089 C 
ATOM      9  C   LIG    1        3.030  -0.277  -0.514  0.00  0.00    +0.025 C 
ATOM     10  C   LIG    1        4.167   0.601   0.014  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1        3.671   1.981   0.431  0.00  0.00    +0.000 C 
ATOM     12  C   LIG    1        2.617   1.913   1.540  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1        1.885   0.569   1.607  0.00  0.00    +0.025 C 
ENDBRANCH   3   8
BRANCH   5  14
ATOM     14  C   LIG    1       -1.653  -0.548  -2.361  0.00  0.00    +0.270 C 
ATOM     15  O   LIG    1       -1.515  -1.117  -3.439  0.00  0.00    -0.268 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.001  -0.058  -1.969  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1       -3.232   0.799  -0.872  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1       -4.558   1.151  -0.631  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1       -4.596   1.975   0.460  0.00  0.00    -0.346 N 
ATOM     20  H   LIG    1       -5.449   2.365   0.834  0.00  0.00    +0.167 HD
ATOM     21  C   LIG    1       -3.327   2.179   0.932  0.00  0.00    +0.085 A 
ATOM     22  N   LIG    1       -5.650   0.776  -1.319  0.00  0.00    -0.237 NA
ATOM     23  C   LIG    1       -5.372  -0.035  -2.361  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1       -2.463   1.468   0.127  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1       -4.109  -0.470  -2.724  0.00  0.00    +0.033 A 
ENDBRANCH  14  16
ENDBRANCH   5  14
TORSDOF 3