REMARK  Name = BDB029864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.471  -1.262  -0.754  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.514  -1.612  -1.684  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.560  -1.356  -2.672  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        2.286  -1.417   0.453  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.968   0.185  -0.717  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.747  -0.378  -0.314  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        3.740  -0.669  -1.251  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        3.962  -0.390  -2.599  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        3.011  -0.652  -3.510  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        5.170   0.170  -3.010  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        5.445   0.517  -4.675  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        6.167   0.456  -2.078  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.724   0.685   3.386  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.239   0.714   2.030  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.032   0.248   1.588  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        7.028   0.495   0.231  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        8.207   1.099  -0.145  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        8.913   1.217   0.957  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        0.189  -2.106  -1.179  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.231  -2.632  -0.298  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.112  -1.007  -1.221  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -2.283  -1.760  -0.834  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.016  -0.301  -2.481  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -0.663   0.108   0.102  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.656   1.228   0.432  0.00  0.00    +0.030 C 
ATOM     26  C   LIG    1       -3.039   0.750   0.865  0.00  0.00    +0.116 C 
ATOM     27  N   LIG    1       -3.895   0.968  -0.280  0.00  0.00    -0.267 N 
ATOM     28  C   LIG    1       -5.175   0.489  -0.414  0.00  0.00    +0.403 C 
ATOM     29  O   LIG    1       -5.874   0.700  -1.397  0.00  0.00    -0.226 OA
ATOM     30  C   LIG    1       -3.267   1.756  -1.314  0.00  0.00    +0.111 C 
ATOM     31  C   LIG    1       -1.946   2.211  -0.710  0.00  0.00    +0.026 C 
BRANCH  28  32
ATOM     32  O   LIG    1       -5.558  -0.219   0.679  0.00  0.00    -0.445 OA
BRANCH  32  33
ATOM     33  C   LIG    1       -6.859  -0.856   0.733  0.00  0.00    +0.107 C 
ATOM     34  C   LIG    1       -7.989   0.179   0.695  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1       -7.010  -1.913  -0.366  0.00  0.00    +0.055 C 
ATOM     36  C   LIG    1       -6.888  -1.561   2.098  0.00  0.00    +0.055 C 
ENDBRANCH  32  33
ENDBRANCH  28  32
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 8