REMARK  Name = BDB029928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.298  -1.594   0.641  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -1.181  -2.309  -0.083  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -2.393  -0.750   0.634  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -2.392   0.310   1.259  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.582  -1.155  -0.162  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.626  -2.337  -0.901  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -2.566  -3.163  -0.923  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -4.768  -2.670  -1.626  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -4.826  -4.131  -2.537  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.877  -1.824  -1.620  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -5.856  -0.628  -0.888  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.701  -0.305  -0.161  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -7.028   0.234  -0.904  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -8.191  -0.101  -1.562  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -9.015   0.903  -1.362  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -8.434   1.874  -0.603  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -9.044   3.113  -0.193  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -7.163   1.467  -0.300  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.008  -0.985   1.166  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.187  -0.071   1.609  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.195  -0.774  -0.048  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        0.988  -1.821  -1.027  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        1.172   0.626  -0.408  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.676  -1.117   0.894  0.00  0.00    +0.190 C 
BRANCH  24  27
ATOM     25  C   LIG    1        5.818  -0.152  -0.318  0.00  0.00    +0.075 C 
ATOM     26  C   LIG    1        4.364   0.347  -0.495  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1        3.897  -1.050  -0.004  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1        5.261  -1.147   0.729  0.00  0.00    +0.027 C 
BRANCH  25  33
ATOM     29  C   LIG    1       10.030   1.486   1.576  0.00  0.00    +0.129 C 
ATOM     30  N   LIG    1        8.705   1.645   1.030  0.00  0.00    -0.302 N 
ATOM     31  H   LIG    1        8.137   2.374   1.436  0.00  0.00    +0.150 HD
ATOM     32  C   LIG    1        8.003   0.532   0.634  0.00  0.00    +0.300 C 
ATOM     33  N   LIG    1        6.737   0.866   0.218  0.00  0.00    -0.297 N 
ATOM     34  H   LIG    1        6.657   1.818  -0.114  0.00  0.00    +0.151 HD
ATOM     35  O   LIG    1        8.445  -0.608   0.652  0.00  0.00    -0.253 OA
ENDBRANCH  25  33
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7