REMARK  Name = BDB053254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.246   1.692   2.182  0.00  0.00    -0.328 N 
ATOM      2  C   LIG    1       -2.285   1.360   3.603  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -3.055   0.926   1.323  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -3.902   1.544   0.336  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -4.577   0.652  -0.536  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -5.397   1.132  -1.544  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -5.603   2.491  -1.728  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -4.996   3.401  -0.886  0.00  0.00    +0.040 A 
ATOM      9 CL   LIG    1       -6.630   3.042  -2.993  0.00  0.00    -0.083 Cl
ATOM     10  N   LIG    1       -4.489  -0.678  -0.464  0.00  0.00    -0.240 NA
ATOM     11  CA  LIG    1       -3.719  -1.230   0.499  0.00  0.00    +0.150 A 
ATOM     12  C   LIG    1       -4.163   2.942   0.140  0.00  0.00    +0.053 A 
ATOM     13 CL   LIG    1       -3.537   4.195   1.165  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1       -3.000  -0.474   1.402  0.00  0.00    +0.058 A 
BRANCH  11  15
ATOM     15  C   LIG    1       -3.673  -2.725   0.514  0.00  0.00    +0.355 C 
ATOM     16  O   LIG    1       -4.240  -3.483  -0.253  0.00  0.00    -0.243 OA
BRANCH  15  17
ATOM     17  OXT LIG    1       -2.906  -3.220   1.510  0.00  0.00    -0.476 OA
ATOM     18  HXT LIG    1       -2.964  -4.190   1.373  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  11  15
ENDBRANCH   1   3
BRANCH   1  19
ATOM     19  C   LIG    1       -0.944   2.108   1.625  0.00  0.00    +0.140 C 
BRANCH  19  22
ATOM     20  C   LIG    1        1.158  -0.882   0.495  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        0.216   0.152   0.507  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        0.098   1.010   1.613  0.00  0.00    -0.029 A 
ATOM     23  C   LIG    1        0.954   0.821   2.708  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        1.893  -0.210   2.703  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        1.991  -1.062   1.603  0.00  0.00    +0.015 A 
BRANCH  20  26
ATOM     26  S   LIG    1        1.240  -1.968  -0.918  0.00  0.00    -0.089 S 
BRANCH  26  30
ATOM     27  C   LIG    1        5.658  -1.656  -2.146  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1        5.084  -2.892  -1.839  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1        3.740  -2.982  -1.467  0.00  0.00    +0.018 A 
ATOM     30  C   LIG    1        2.955  -1.830  -1.389  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        3.526  -0.594  -1.706  0.00  0.00    +0.018 A 
ATOM     32  C   LIG    1        4.873  -0.506  -2.079  0.00  0.00    +0.047 A 
BRANCH  27  34
ATOM     33  C   LIG    1        7.606  -0.481  -2.836  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        6.979  -1.711  -2.494  0.00  0.00    -0.495 OA
ENDBRANCH  27  34
ENDBRANCH  26  30
ENDBRANCH  20  26
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 8