REMARK  Name = BDB029960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.596  -2.007   0.041  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1        1.123  -3.270   0.305  0.00  0.00    +0.154 A 
ATOM      3  F   LIG    1        0.310  -4.334   0.423  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1        2.498  -3.443   0.454  0.00  0.00    +0.077 A 
ATOM      5 CL   LIG    1        3.149  -5.006   0.775  0.00  0.00    -0.081 Cl
ATOM      6  C   LIG    1        3.367  -2.356   0.343  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        2.863  -1.076   0.082  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        1.474  -0.916  -0.069  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.732   0.084  -0.042  0.00  0.00    +0.089 A 
ATOM     10  N   LIG    1        3.273   1.321  -0.436  0.00  0.00    -0.236 NA
ATOM     11  C   LIG    1        4.325   2.108  -0.441  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1        5.448   1.435  -0.058  0.00  0.00    -0.327 N 
ATOM     13  C   LIG    1        5.087   0.139   0.208  0.00  0.00    +0.116 A 
BRANCH  12  14
ATOM     14  C   LIG    1        6.770   2.011   0.093  0.00  0.00    +0.218 C 
BRANCH  14  15
ATOM     15  C   LIG    1        7.542   1.868  -1.163  0.00  0.00    +0.215 A 
ATOM     16  O   LIG    1        7.333   2.821  -2.126  0.00  0.00    -0.446 OA
ATOM     17  C   LIG    1        8.155   2.446  -3.145  0.00  0.00    +0.217 A 
ATOM     18  C   LIG    1        8.821   1.312  -2.757  0.00  0.00    +0.152 A 
ATOM     19  N   LIG    1        8.434   0.953  -1.491  0.00  0.00    -0.220 NA
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   7   9
BRANCH   1  21
ATOM     20  O   LIG    1       -1.277  -0.618  -0.302  0.00  0.00    -0.269 OA
ATOM     21  C   LIG    1       -0.865  -1.763  -0.126  0.00  0.00    +0.262 C 
ATOM     22  N   LIG    1       -1.707  -2.863  -0.054  0.00  0.00    -0.228 N 
ATOM     23  H   LIG    1       -1.368  -3.708   0.410  0.00  0.00    +0.171 HD
BRANCH  22  24
ATOM     24  N   LIG    1       -3.173  -2.581   0.143  0.00  0.00    -0.112 NA
ATOM     25  H   LIG    1       -3.840  -3.083  -0.448  0.00  0.00    +0.171 HD
BRANCH  24  26
ATOM     26  S   LIG    1       -3.707  -2.381   1.735  0.00  0.00    +0.045 S 
ATOM     27  O   LIG    1       -5.023  -2.979   1.796  0.00  0.00    -0.157 OA
ATOM     28  O   LIG    1       -2.644  -2.846   2.605  0.00  0.00    -0.157 OA
BRANCH  26  29
ATOM     29  C   LIG    1       -3.844  -0.601   1.886  0.00  0.00    +0.190 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.630   0.092   0.766  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -4.446   1.613   0.859  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1       -5.101   2.344  -0.316  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1       -6.331   1.628  -0.872  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1       -7.038   0.813   0.201  0.00  0.00    +0.000 C 
ATOM     35  C   LIG    1       -6.128  -0.270   0.788  0.00  0.00    +0.005 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   1  21
TORSDOF 8