REMARK  Name = BDB008390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.604   0.710  -0.906  0.00  0.00    +0.144 A 
ATOM      2  C   LIG    1        0.372   1.258  -0.062  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1        0.261   2.602   0.297  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.767   3.405  -0.233  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -1.691   2.867  -1.152  0.00  0.00    +0.075 A 
ATOM      6  N   LIG    1       -2.674   3.601  -1.701  0.00  0.00    -0.255 NA
ATOM      7  C   LIG    1       -2.768   4.901  -1.345  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -1.914   5.519  -0.451  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -0.898   4.757   0.111  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -1.575   1.530  -1.490  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   2  11
ATOM     11  N   LIG    1        1.443   0.430   0.336  0.00  0.00    -0.278 N 
ATOM     12  H   LIG    1        1.469  -0.481  -0.122  0.00  0.00    +0.155 HD
ATOM     13  C   LIG    1        2.459   0.710   1.226  0.00  0.00    +0.251 C 
ATOM     14  O   LIG    1        2.555   1.738   1.888  0.00  0.00    -0.270 OA
BRANCH  13  15
ATOM     15  C   LIG    1        3.462  -0.353   1.363  0.00  0.00    +0.070 A 
ATOM     16  C   LIG    1        3.581  -1.565   0.599  0.00  0.00    +0.093 A 
ATOM     17  C   LIG    1        4.666  -2.342   0.997  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1        4.911  -3.539   0.341  0.00  0.00    +0.129 A 
ATOM     19  N   LIG    1        4.102  -3.919  -0.668  0.00  0.00    -0.243 NA
ATOM     20  C   LIG    1        3.083  -3.109  -0.990  0.00  0.00    +0.221 A 
ATOM     21  S   LIG    1        5.524  -1.616   2.286  0.00  0.00    -0.093 S 
ATOM     22  N   LIG    1        2.753  -1.946  -0.413  0.00  0.00    -0.234 NA
ATOM     23  C   LIG    1        4.473  -0.273   2.308  0.00  0.00    +0.061 A 
ENDBRANCH  13  15
ENDBRANCH   2  11
BRANCH   1  24
ATOM     24  O   LIG    1       -0.544  -0.609  -1.273  0.00  0.00    -0.484 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -0.899  -1.751   0.904  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1       -1.375  -1.559  -0.545  0.00  0.00    +0.107 C 
ATOM     27  C   LIG    1       -1.090  -2.883  -1.292  0.00  0.00    +0.055 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -2.905  -1.301  -0.672  0.00  0.00    +0.075 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.534  -0.409   0.399  0.00  0.00    +0.159 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -3.788  -1.160   1.581  0.00  0.00    -0.395 OA
ATOM     31  H   LIG    1       -4.530  -1.760   1.393  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7