REMARK  Name = BDB038564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.470  -0.158   0.888  0.00  0.00    -0.038 A 
ATOM      2  C   LIG    1        0.212  -0.775   0.823  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -0.928  -0.010   0.576  0.00  0.00    +0.130 A 
ATOM      4  N   LIG    1       -0.856   1.328   0.378  0.00  0.00    -0.216 NA
ATOM      5  C   LIG    1        0.361   1.893   0.416  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1        1.533   1.220   0.692  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.211  -0.585   0.504  0.00  0.00    -0.248 N 
ATOM      8  C   LIG    1       -2.556  -1.920   0.666  0.00  0.00    +0.253 C 
ATOM      9  O   LIG    1       -1.871  -2.897   0.904  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -4.013  -2.000   0.493  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -4.832  -3.111   0.561  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -6.198  -2.916   0.357  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.706  -1.629   0.093  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -5.860  -0.506   0.028  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -4.500  -0.722   0.233  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1       -3.365   0.254   0.224  0.00  0.00    +0.151 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -6.393   0.872  -0.255  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -5.883   1.396  -1.403  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -6.078   1.759   0.729  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -7.747   0.922  -0.386  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1        2.704  -1.825   2.343  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        2.755  -0.944   1.090  0.00  0.00    +0.023 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.078  -1.763  -0.178  0.00  0.00    +0.084 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.547  -1.938  -0.356  0.00  0.00    +0.134 A 
ATOM     25  N   LIG    1        5.355  -1.096  -1.076  0.00  0.00    -0.320 N 
ATOM     26  C   LIG    1        4.970   0.095  -1.787  0.00  0.00    +0.151 C 
ATOM     27  C   LIG    1        6.613  -1.603  -0.978  0.00  0.00    +0.224 A 
ATOM     28  N   LIG    1        6.591  -2.689  -0.242  0.00  0.00    -0.138 NA
ATOM     29  N   LIG    1        5.290  -2.902   0.149  0.00  0.00    -0.135 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
BRANCH   5  30
ATOM     30  N   LIG    1        0.309   3.286   0.172  0.00  0.00    -0.204 N 
ATOM     31  H   LIG    1       -0.684   3.523   0.122  0.00  0.00    +0.175 HD
BRANCH  30  32
ATOM     32  S   LIG    1        1.048   3.778  -1.269  0.00  0.00    +0.041 S 
ATOM     33  O   LIG    1        0.038   3.727  -2.303  0.00  0.00    -0.155 OA
ATOM     34  O   LIG    1        2.331   3.125  -1.425  0.00  0.00    -0.155 OA
ATOM     35  C   LIG    1        1.361   5.486  -0.887  0.00  0.00    +0.218 C 
ENDBRANCH  30  32
ENDBRANCH   5  30
TORSDOF 7