REMARK  Name = BDB030149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.492  -2.837  -1.063  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        1.755  -3.015  -2.034  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        2.209  -1.922  -0.308  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        1.731  -1.421   0.709  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.570  -1.549  -0.775  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        4.118  -2.037  -1.960  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        3.416  -2.878  -2.736  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        5.399  -1.651  -2.353  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        6.078  -2.257  -3.817  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        6.149  -0.773  -1.569  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.620  -0.267  -0.375  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.327  -0.664   0.011  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.365   0.651   0.473  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        5.873   1.131   1.666  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        6.806   1.921   2.145  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.883   1.973   1.312  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        9.080   2.743   1.536  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        7.622   1.169   0.237  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.016  -2.871  -0.783  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -0.202  -2.683   0.212  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -0.943  -1.818  -1.781  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1       -0.029  -0.911  -2.449  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -1.870  -2.634  -2.535  0.00  0.00    -0.152 OA
BRANCH  21  26
ATOM     24  C   LIG    1       -3.904  -0.509   0.653  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1       -3.179  -1.239  -0.292  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -1.854  -0.897  -0.572  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1       -1.244   0.182   0.070  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1       -1.967   0.908   1.013  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.292   0.564   1.305  0.00  0.00    +0.046 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -5.184  -0.947   0.837  0.00  0.00    -0.491 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -6.027  -0.268   1.772  0.00  0.00    +0.244 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -6.680   0.993   1.170  0.00  0.00    +0.124 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -7.655  -0.080  -0.792  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1       -7.915   0.742   0.394  0.00  0.00    -0.305 NA
ATOM     35  C   LIG    1       -8.517   2.015  -0.011  0.00  0.00    +0.104 C 
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  24  30
ENDBRANCH  21  26
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 9