REMARK  Name = BDB029811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.161  -1.252   0.406  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        1.212  -2.031  -0.256  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        2.246  -0.417   0.607  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        2.107   0.701   1.101  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.588  -0.909   0.196  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.778  -2.140  -0.428  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        2.729  -2.938  -0.690  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        5.058  -2.554  -0.793  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        5.294  -4.078  -1.562  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        6.166  -1.743  -0.540  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        6.001  -0.501   0.085  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.705  -0.096   0.449  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        7.128   0.375   0.370  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        7.001   1.545   1.084  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        8.206   2.063   1.139  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        9.110   1.277   0.488  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       10.517   1.554   0.354  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        8.442   0.193  -0.010  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.216  -0.584   0.515  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.102   0.380   0.873  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.072  -0.542  -0.962  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -0.638  -1.692  -1.730  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -0.952   0.799  -1.485  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.748  -0.827  -0.404  0.00  0.00    +0.191 C 
BRANCH  24  30
ATOM     25  C   LIG    1       -7.851  -0.392  -1.534  0.00  0.00    +0.133 C 
ATOM     26  N   LIG    1       -7.946   0.055  -0.154  0.00  0.00    -0.292 N 
ATOM     27  C   LIG    1       -6.931  -0.186   0.759  0.00  0.00    +0.304 C 
ATOM     28  N   LIG    1       -5.638   0.046   0.330  0.00  0.00    -0.285 N 
ATOM     29  C   LIG    1       -4.541  -0.200   1.249  0.00  0.00    +0.114 C 
ATOM     30  C   LIG    1       -3.293   0.278   0.507  0.00  0.00    +0.030 C 
ATOM     31  C   LIG    1       -3.856   1.483  -0.260  0.00  0.00    +0.026 C 
ATOM     32  C   LIG    1       -5.263   1.047  -0.661  0.00  0.00    +0.109 C 
ATOM     33  O   LIG    1       -7.165  -0.555   1.910  0.00  0.00    -0.252 OA
ATOM     34  C   LIG    1       -9.293   0.177   0.371  0.00  0.00    +0.133 C 
ENDBRANCH  24  30
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6