REMARK  Name = BDB029774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.888   0.838  -0.679  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -2.799   0.232  -0.039  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -1.545   0.864   0.004  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -1.388   2.104  -0.615  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1       -0.198   2.727  -0.592  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -2.462   2.706  -1.269  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1       -2.268   4.236  -2.037  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -3.705   2.077  -1.305  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  12
ATOM      9  N   LIG    1       -7.011  -0.930  -0.348  0.00  0.00    -0.334 N 
ATOM     10  C   LIG    1       -5.830  -0.533   0.241  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -5.454  -0.872   1.638  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1       -5.189   0.198  -0.749  0.00  0.00    +0.092 A 
ATOM     13  N   LIG    1       -5.975   0.293  -1.873  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1       -7.053  -0.404  -1.608  0.00  0.00    +0.200 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -9.130  -0.966   0.917  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1       -8.047  -1.772   0.220  0.00  0.00    +0.119 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   3  17
ATOM     17  C   LIG    1       -0.438   0.176   0.718  0.00  0.00    +0.262 C 
ATOM     18  N   LIG    1        0.806   0.781   0.722  0.00  0.00    -0.228 N 
ATOM     19  H   LIG    1        1.040   1.506   0.036  0.00  0.00    +0.171 HD
ATOM     20  O   LIG    1       -0.631  -0.901   1.280  0.00  0.00    -0.269 OA
BRANCH  18  21
ATOM     21  N   LIG    1        1.980  -0.111   1.145  0.00  0.00    -0.112 NA
ATOM     22  H   LIG    1        1.622  -1.006   1.516  0.00  0.00    +0.171 HD
BRANCH  21  23
ATOM     23  S   LIG    1        3.077  -0.438  -0.130  0.00  0.00    +0.045 S 
ATOM     24  O   LIG    1        2.773  -1.772  -0.597  0.00  0.00    -0.157 OA
ATOM     25  O   LIG    1        3.039   0.712  -1.009  0.00  0.00    -0.157 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.618  -0.461   0.783  0.00  0.00    +0.190 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.808  -0.975  -0.046  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1        6.257  -0.009  -1.155  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        6.924   1.255  -0.614  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        8.087   0.921   0.316  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        7.674  -0.039   1.428  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        7.004  -1.294   0.870  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH   3  17
TORSDOF 7