REMARK  Name = BDB059916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.857  -2.093  -0.660  0.00  0.00    +0.202 A 
ATOM      2  C   LIG    1        1.425  -0.776  -0.541  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1        0.040  -0.871  -0.503  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -0.815   0.245  -0.442  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -0.317   1.450  -0.443  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        1.056   1.566  -0.447  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.289  -2.196  -0.566  0.00  0.00    +0.209 A 
ATOM      8  C   LIG    1        1.949   0.551  -0.479  0.00  0.00    +0.029 A 
ATOM      9  N   LIG    1        0.775  -2.961  -0.607  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.361   0.950  -0.394  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        4.008   1.029   0.834  0.00  0.00    +0.120 A 
ATOM     12  N   LIG    1        5.301   1.394   0.994  0.00  0.00    -0.250 NA
ATOM     13  C   LIG    1        6.012   1.710  -0.130  0.00  0.00    +0.144 A 
ATOM     14  C   LIG    1        5.425   1.692  -1.397  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        4.089   1.311  -1.526  0.00  0.00    +0.012 A 
BRANCH  13  16
ATOM     16  C   LIG    1        7.469   2.140   0.006  0.00  0.00    +0.434 C 
ATOM     17  F   LIG    1        8.103   1.613   1.091  0.00  0.00    -0.164 F 
ATOM     18  F   LIG    1        7.604   3.494   0.113  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1        8.231   1.784  -1.071  0.00  0.00    -0.164 F 
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  C   LIG    1        4.056  -2.818   0.847  0.00  0.00    +0.202 C 
ATOM     21  S   LIG    1        3.478  -2.720  -0.825  0.00  0.00    +0.013 S 
ATOM     22  O   LIG    1        4.224  -1.712  -1.548  0.00  0.00    -0.168 OA
ATOM     23  O   LIG    1        3.330  -4.065  -1.344  0.00  0.00    -0.168 OA
ENDBRANCH   1  21
BRANCH   4  24
ATOM     24  N   LIG    1       -2.181   0.081  -0.408  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -2.600   0.969  -0.680  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -2.803  -0.338   0.845  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.268  -0.563   0.626  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -5.202   0.469   0.655  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.019   1.927   0.853  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -6.478   2.338   1.053  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -7.334   1.342   0.450  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -6.546   0.221   0.403  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -7.023  -1.041   0.110  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -6.106  -2.091   0.082  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -4.750  -1.846   0.336  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -3.895  -2.878   0.291  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   4  24
TORSDOF 6