REMARK  Name = BDB019179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.197   1.101   0.067  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -1.298   0.995   1.592  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.171   0.029   1.910  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        0.899   0.481   0.913  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.171   0.772  -0.299  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1       -6.150  -1.704  -2.383  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -5.399  -0.653  -1.628  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -4.012  -0.668  -1.433  0.00  0.00    +0.075 A 
ATOM      9  C   LIG    1       -2.933  -1.501  -1.781  0.00  0.00    +0.152 A 
ATOM     10  C   LIG    1       -1.767  -0.976  -1.285  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1       -2.100   0.186  -0.628  0.00  0.00    -0.300 N 
ATOM     12  F   LIG    1       -3.020  -2.633  -2.486  0.00  0.00    -0.203 F 
ATOM     13  C   LIG    1       -3.462   0.382  -0.709  0.00  0.00    +0.149 A 
ATOM     14  N   LIG    1       -4.130   1.413  -0.167  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -5.449   1.335  -0.411  0.00  0.00    +0.223 A 
ATOM     16  N   LIG    1       -6.110   0.380  -1.095  0.00  0.00    -0.240 NA
ENDBRANCH   1  11
BRANCH   4  17
ATOM     17  C   LIG    1        1.995  -0.593   0.704  0.00  0.00    +0.180 C 
ATOM     18  C   LIG    1        3.132  -0.145  -0.210  0.00  0.00    -0.013 A 
ATOM     19  C   LIG    1        4.442   0.005   0.284  0.00  0.00    -0.038 A 
ATOM     20  C   LIG    1        5.479   0.399  -0.574  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        5.214   0.659  -1.916  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        3.925   0.516  -2.418  0.00  0.00    +0.020 A 
ATOM     23 CL   LIG    1        6.491   1.149  -2.961  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        4.744  -0.330   1.720  0.00  0.00    +0.063 C 
ATOM     25  C   LIG    1        3.479  -0.242   2.558  0.00  0.00    +0.165 C 
ATOM     26  C   LIG    1        2.892   0.110  -1.571  0.00  0.00    +0.008 A 
ATOM     27  O   LIG    1        2.460  -1.070   1.989  0.00  0.00    -0.369 OA
ENDBRANCH   4  17
BRANCH   2  28
ATOM     28  O   LIG    1       -1.019   2.259   2.220  0.00  0.00    -0.385 OA
ATOM     29  H   LIG    1       -0.727   2.030   3.127  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1        0.222   0.136   3.273  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1        0.943  -0.517   3.394  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 4