REMARK  Name = BDB015696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.760  -0.301   0.457  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.525  -0.657   0.506  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -1.395   0.351   0.378  0.00  0.00    +0.320 A 
ATOM      4  N   LIG    1       -1.074   1.642   0.240  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        0.238   1.948   0.202  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.215   0.987   0.338  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.560   3.389   0.051  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        1.602   3.778  -0.710  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        1.936   5.114  -0.885  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        3.080   5.439  -1.722  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        1.210   6.148  -0.298  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        1.465   7.344  -0.408  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        0.040   5.730   0.515  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.251   4.432   0.663  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.619  -1.417   0.637  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        1.006  -2.219   0.801  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.615  -1.772  -0.688  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        1.845  -2.639  -1.551  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.223  -0.551  -1.172  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.878  -2.737   0.132  0.00  0.00    +0.188 C 
BRANCH  20  22
ATOM     21  C   LIG    1        4.708  -4.123  -1.840  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        5.051  -3.092  -0.776  0.00  0.00    +0.021 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  O   LIG    1       -2.748   0.103   0.435  0.00  0.00    -0.459 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.125  -1.268   0.247  0.00  0.00    +0.177 C 
ATOM     25  C   LIG    1       -4.516  -1.267  -0.414  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.636  -1.246   0.621  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -5.598  -2.481   1.522  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -4.195  -3.066   1.690  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -3.125  -1.987   1.609  0.00  0.00    +0.044 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7