REMARK  Name = BDB029843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.220   1.558  -0.395  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        1.312   1.919  -1.349  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        2.218   0.786   0.174  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        1.991   0.067   1.145  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.575   0.845  -0.433  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.857   1.600  -1.570  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        2.889   2.313  -2.169  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        5.147   1.620  -2.098  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        5.499   2.557  -3.501  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        6.172   0.884  -1.499  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.912   0.116  -0.358  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.608   0.106   0.167  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.951  -0.663   0.299  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        6.752  -1.309   1.499  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        7.890  -1.904   1.777  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        8.818  -1.670   0.807  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       10.166  -2.176   0.796  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        8.239  -0.878  -0.147  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.211   1.204   0.027  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.180   0.517   0.800  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.161   0.581  -1.244  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -0.686   1.208  -2.462  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.173  -0.857  -1.103  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.783   1.237  -0.859  0.00  0.00    +0.190 C 
BRANCH  24  28
ATOM     25  C   LIG    1       -5.745  -0.234   0.034  0.00  0.00    +0.073 C 
ATOM     26  C   LIG    1       -4.521  -1.110   0.350  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1       -3.408  -0.356   1.080  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -3.244   1.093   0.604  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -4.563   1.871   0.826  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -5.810   0.990   0.951  0.00  0.00    +0.022 C 
BRANCH  25  33
ATOM     31  C   LIG    1       -9.305  -1.509  -0.286  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1       -8.105  -0.649  -0.577  0.00  0.00    +0.210 C 
ATOM     33  N   LIG    1       -6.970  -1.017   0.113  0.00  0.00    -0.313 N 
ATOM     34  H   LIG    1       -7.073  -1.665   0.883  0.00  0.00    +0.149 HD
ATOM     35  O   LIG    1       -8.155   0.300  -1.352  0.00  0.00    -0.276 OA
ENDBRANCH  25  33
ENDBRANCH  24  28
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7