REMARK  Name = BDB017317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.659  -0.041   0.497  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        3.670  -0.799  -0.147  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        2.336  -0.352  -0.217  0.00  0.00    -0.013 A 
ATOM      4  C   LIG    1        1.995   0.874   0.374  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        0.663   1.275   0.280  0.00  0.00    +0.121 A 
ATOM      6  N   LIG    1       -0.310   0.565  -0.339  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1        0.028  -0.607  -0.899  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        2.980   1.635   1.023  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.333  -1.094  -0.860  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        4.300   1.179   1.082  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        9.620  -0.230   0.657  0.00  0.00    +0.172 C 
ATOM     12  N   LIG    1        8.223  -0.588   0.622  0.00  0.00    -0.274 N 
ATOM     13  N   LIG    1        7.872  -1.886   0.618  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1        6.538  -1.848   0.578  0.00  0.00    +0.142 A 
ATOM     15  C   LIG    1        6.026  -0.529   0.557  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        7.156   0.264   0.585  0.00  0.00    +0.116 A 
ENDBRANCH   1  15
BRANCH   7  17
ATOM     17  N   LIG    1       -0.922  -1.391  -1.555  0.00  0.00    -0.270 N 
ATOM     18  H   LIG    1       -0.595  -2.240  -1.996  0.00  0.00    +0.156 HD
ATOM     19  C   LIG    1       -2.254  -1.198  -1.766  0.00  0.00    +0.221 C 
ATOM     20  O   LIG    1       -2.831  -2.049  -2.451  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -3.008  -0.014  -1.167  0.00  0.00    +0.078 C 
ATOM     22  C   LIG    1       -3.161  -0.171   0.356  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1       -4.580  -0.557   0.756  0.00  0.00    +0.110 C 
ATOM     24  N   LIG    1       -5.533   0.507   0.339  0.00  0.00    -0.181 NA
ATOM     25  C   LIG    1       -5.287   1.063  -1.020  0.00  0.00    +0.110 C 
ATOM     26  C   LIG    1       -4.378   0.165  -1.845  0.00  0.00    +0.030 C 
BRANCH  24  27
ATOM     27  S   LIG    1       -7.153   0.188   0.753  0.00  0.00    +0.029 S 
ATOM     28  O   LIG    1       -7.764  -0.521  -0.350  0.00  0.00    -0.158 OA
ATOM     29  O   LIG    1       -7.175  -0.353   2.095  0.00  0.00    -0.158 OA
ATOM     30  C   LIG    1       -7.833   1.833   0.828  0.00  0.00    +0.215 C 
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   7  17
TORSDOF 4