REMARK  Name = BDB033681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.821  -3.047   1.206  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.374  -1.851   0.700  0.00  0.00    +0.237 A 
ATOM      3  N   LIG    1       -0.093  -1.623   0.339  0.00  0.00    -0.178 NA
ATOM      4  C   LIG    1        0.780  -2.628   0.484  0.00  0.00    +0.223 A 
ATOM      5  N   LIG    1        0.434  -3.831   0.972  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.857  -4.016   1.322  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -4.257  -3.527   1.915  0.00  0.00    -0.191 NA
ATOM      8  C   LIG    1       -3.168  -3.288   1.589  0.00  0.00    +0.106 C 
ENDBRANCH   1   8
BRANCH   4   9
ATOM      9  N   LIG    1        2.124  -2.500   0.147  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        2.589  -3.379   0.328  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.896  -1.481  -0.421  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        2.382  -0.240  -0.816  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        3.206   0.749  -1.365  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        4.570   0.504  -1.512  0.00  0.00    +0.105 A 
ATOM     15  C   LIG    1        5.111  -0.724  -1.135  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        4.275  -1.702  -0.589  0.00  0.00    +0.025 A 
BRANCH  14  17
ATOM     17  S   LIG    1        5.625   1.745  -2.209  0.00  0.00    +0.056 S 
ATOM     18  O   LIG    1        4.802   2.725  -2.880  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1        6.738   1.090  -2.854  0.00  0.00    -0.153 OA
BRANCH  17  20
ATOM     20  N   LIG    1        6.204   2.510  -0.825  0.00  0.00    -0.204 NA
ATOM     21  H   LIG    1        5.874   3.477  -0.821  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        5.961   2.022   0.037  0.00  0.00    +0.144 HD
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   4   9
BRANCH   2  23
ATOM     23  O   LIG    1       -2.299  -0.833   0.562  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -1.771   0.372   0.004  0.00  0.00    +0.234 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.873   1.424  -0.113  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1       -4.064   0.989  -0.967  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -5.162   1.984  -0.605  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -4.830   2.489   0.799  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -3.548   1.772   1.214  0.00  0.00    +0.007 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 8