REMARK  Name = BDB029814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.111  -2.744   0.356  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.885  -3.750  -0.203  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.161  -3.716  -1.187  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.009  -2.627   1.578  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.558   0.444  -0.802  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.016  -0.567   0.005  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -0.511  -1.752  -0.554  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -0.567  -1.929  -1.934  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.083  -3.051  -2.493  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -1.120  -0.939  -2.745  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -1.197  -1.155  -4.453  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -1.612   0.244  -2.187  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -3.760   4.797   0.114  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -2.990   3.585   0.221  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -2.832   2.635  -0.750  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -2.021   1.674  -0.181  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -1.690   2.033   1.108  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -2.289   3.183   1.319  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.919  -4.371   0.754  0.00  0.00    -0.106 NA
ATOM     20  H   LIG    1        1.562  -4.392   1.720  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.456  -3.592   0.774  0.00  0.00    +0.094 S 
ATOM     22  O   LIG    1        4.135  -3.899  -0.466  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        4.046  -3.836   2.073  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.183  -1.883   0.726  0.00  0.00    +0.236 A 
ATOM     25  N   LIG    1        2.915  -1.220  -0.447  0.00  0.00    -0.109 NA
ATOM     26  N   LIG    1        2.598   0.033  -0.144  0.00  0.00    -0.064 NA
ATOM     27  N   LIG    1        2.654   0.150   1.196  0.00  0.00    -0.253 N 
ATOM     28  C   LIG    1        2.283   1.389   1.826  0.00  0.00    +0.174 C 
ATOM     29  C   LIG    1        3.030  -1.017   1.788  0.00  0.00    +0.158 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5