REMARK  Name = BDB048230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.456  -0.265  -0.074  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        1.238   0.168   0.483  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.004  -0.194  -0.105  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        0.034  -0.984  -1.255  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -1.266  -1.197  -1.643  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -1.539  -1.739  -2.450  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.141  -0.580  -0.785  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -3.544  -0.531  -0.791  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -4.533  -1.115  -1.764  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -5.829  -1.054  -0.943  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.693   0.142   0.012  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -4.214   0.184   0.212  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -3.482   0.828   1.174  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -3.898   1.647   2.310  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -5.042   1.918   2.614  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -2.756   2.031   2.938  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -2.739   2.607   3.764  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -1.636   1.550   2.329  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -0.490   1.735   2.685  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -2.091   0.771   1.179  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        1.223  -1.429  -1.840  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -1.372   0.067   0.200  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        2.426  -1.055  -1.229  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  27
ATOM     24  C   LIG    1        5.968   0.264   0.521  0.00  0.00    +0.158 A 
ATOM     25  S   LIG    1        5.588   0.895   2.077  0.00  0.00    -0.060 S 
ATOM     26  C   LIG    1        3.923   0.633   1.773  0.00  0.00    +0.076 A 
ATOM     27  C   LIG    1        3.748   0.091   0.514  0.00  0.00    +0.080 A 
ATOM     28  N   LIG    1        4.930  -0.116  -0.186  0.00  0.00    -0.225 NA
BRANCH  24  30
ATOM     29  C   LIG    1        7.523   0.046  -1.297  0.00  0.00    +0.127 C 
ATOM     30  N   LIG    1        7.256   0.196   0.115  0.00  0.00    -0.327 N 
ATOM     31  H   LIG    1        7.915   0.774   0.624  0.00  0.00    +0.148 HD
ENDBRANCH  24  30
ENDBRANCH   1  27
TORSDOF 2