REMARK  Name = BDB059350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.887   0.416  -1.268  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.833  -0.305  -1.979  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.696  -1.307  -2.123  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.167   1.496  -0.749  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.405  -3.329  -1.984  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.080  -1.970  -1.437  0.00  0.00    -0.013 A 
ATOM      7  C   LIG    1       -0.793  -1.444  -1.593  0.00  0.00    +0.139 A 
ATOM      8  F   LIG    1        0.134  -2.199  -2.204  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -0.474  -0.169  -1.131  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1       -1.471   0.593  -0.501  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -2.774   0.086  -0.323  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1       -3.070  -1.191  -0.814  0.00  0.00    +0.034 A 
BRANCH  11  13
ATOM     13  N   LIG    1       -3.748   0.913   0.327  0.00  0.00    -0.237 N 
ATOM     14  C   LIG    1       -5.011   0.619   0.842  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1       -5.625  -0.725   0.978  0.00  0.00    +0.066 C 
ATOM     16  C   LIG    1       -5.551   1.823   1.254  0.00  0.00    +0.044 A 
ATOM     17  C   LIG    1       -4.552   2.771   1.030  0.00  0.00    +0.135 A 
ATOM     18  N   LIG    1       -3.456   2.232   0.509  0.00  0.00    -0.175 NA
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1        3.289   0.121  -1.735  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        3.336   1.128  -1.526  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.095  -0.793  -0.521  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        5.233  -1.435  -1.145  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        3.100  -1.568   0.194  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.688   0.484   0.556  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1        3.802   1.089   1.452  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        4.268   2.084   2.310  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.612   2.462   2.278  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.494   1.850   1.385  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        6.035   0.855   0.522  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5