REMARK  Name = BDB015567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.977  -0.571  -0.125  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.295  -0.922  -0.315  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.191   0.055  -0.111  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.902   1.307   0.271  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.403   1.612   0.431  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.401   0.688   0.216  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.722   3.004   0.841  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.067   4.006   0.404  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        0.166   5.334   0.734  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.737   6.344   0.206  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        1.228   5.726   1.543  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        1.493   6.883   1.856  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        2.085   4.625   2.054  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        1.832   3.354   1.717  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.858  -1.645  -0.413  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        1.258  -2.415  -0.724  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.788  -2.183   0.891  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        1.997  -3.162   1.602  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.365  -1.043   1.572  0.00  0.00    -0.155 OA
BRANCH  17  21
ATOM     20  C   LIG    1        3.652  -4.191  -0.797  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1        4.120  -3.023   0.046  0.00  0.00    +0.185 C 
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  22
ATOM     22  O   LIG    1       -2.548  -0.219  -0.228  0.00  0.00    -0.420 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.875  -1.362  -0.918  0.00  0.00    +0.170 A 
ATOM     24  C   LIG    1       -2.694  -1.425  -2.301  0.00  0.00    +0.166 A 
ATOM     25  F   LIG    1       -2.170  -0.384  -2.965  0.00  0.00    -0.202 F 
ATOM     26  C   LIG    1       -3.055  -2.564  -3.013  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -3.614  -3.647  -2.337  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -3.816  -3.583  -0.955  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -3.460  -2.435  -0.230  0.00  0.00    -0.005 A 
ATOM     30  C   LIG    1       -3.675  -2.377   1.255  0.00  0.00    +0.047 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6