REMARK  Name = BDB030016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.829   0.504   0.473  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.510   0.216   0.171  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.266  -0.311  -0.672  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        2.124   1.406   1.255  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.274  -0.792  -0.441  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.227  -0.062   0.148  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.885  -0.307  -0.188  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.596  -1.296  -1.126  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.324  -1.552  -1.474  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.625  -2.029  -1.717  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.268  -3.255  -2.874  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.957  -1.782  -1.379  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       10.232  -0.654  -0.148  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.824  -0.443   0.069  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.796  -1.013  -0.630  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.648  -0.504  -0.058  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        6.971   0.357   0.966  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        8.284   0.372   1.018  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.514   1.279   0.588  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.048   2.007   1.155  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.306   2.017  -0.733  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.347   1.046  -1.806  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -0.662   3.300  -0.914  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.937   2.305  -0.055  0.00  0.00    +0.193 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.927   1.124   0.022  0.00  0.00    -0.008 C 
ATOM     26  C   LIG    1       -5.144   1.598   0.875  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -6.207   0.495   0.996  0.00  0.00    -0.010 C 
ATOM     28  C   LIG    1       -5.580  -0.737   1.663  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -4.401  -1.245   0.820  0.00  0.00    -0.010 C 
ATOM     30  C   LIG    1       -4.903  -1.614  -0.586  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -5.530  -0.383  -1.261  0.00  0.00    -0.010 C 
ATOM     32  C   LIG    1       -6.705   0.119  -0.408  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -3.340  -0.136   0.703  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1       -4.471   0.729  -1.376  0.00  0.00    +0.012 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6