REMARK  Name = BDB030141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.848  -0.151  -1.071  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.603  -1.116  -0.833  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        2.091   0.368  -0.754  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        2.281   1.582  -0.709  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.190  -0.589  -0.459  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        2.998  -1.969  -0.435  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        1.784  -2.490  -0.680  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        4.063  -2.823  -0.152  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        3.826  -4.530  -0.127  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.334  -2.310   0.112  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.552  -0.927   0.096  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.470  -0.077  -0.193  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.861  -0.350   0.363  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        7.130   0.991   0.204  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        8.391   1.143   0.538  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        8.950  -0.044   0.908  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       10.312  -0.231   1.337  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        7.989  -1.012   0.803  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.318   0.846  -1.023  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.054   1.802  -0.884  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.458   0.501   0.205  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.169   1.399   1.300  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.472  -0.938   0.373  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.962   1.016  -0.612  0.00  0.00    +0.191 C 
BRANCH  24  30
ATOM     25  N   LIG    1       -6.721   0.598  -0.051  0.00  0.00    -0.301 N 
ATOM     26  C   LIG    1       -6.919   0.901   1.288  0.00  0.00    +0.216 C 
ATOM     27  O   LIG    1       -8.034   0.915   1.810  0.00  0.00    -0.276 OA
ATOM     28  C   LIG    1       -5.687   1.120   2.140  0.00  0.00    +0.096 C 
ATOM     29  C   LIG    1       -4.460   1.581   1.372  0.00  0.00    +0.016 C 
ATOM     30  C   LIG    1       -4.224   0.655   0.181  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1       -5.444   0.752  -0.734  0.00  0.00    +0.113 C 
BRANCH  25  33
ATOM     32  C   LIG    1       -8.161  -1.175  -0.970  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -7.889   0.318  -0.884  0.00  0.00    +0.104 C 
ENDBRANCH  25  33
ENDBRANCH  24  30
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7