REMARK  Name = BDB062619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.859  -0.457   2.958  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        1.590   0.788   3.057  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.338  -1.117   4.137  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  C   LIG    1       -5.433   0.847  -2.364  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -4.106   1.077  -1.681  0.00  0.00    +0.217 C 
ATOM      6  N   LIG    1       -3.781   0.160  -0.697  0.00  0.00    -0.271 N 
ATOM      7  C   LIG    1       -2.614   0.175   0.089  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -2.616  -0.908   0.972  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -1.570  -1.120   1.858  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -0.502  -0.216   1.837  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1       -0.502   0.888   0.967  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -3.842  -1.745   0.808  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -1.565   1.081   0.079  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.607  -0.987  -0.284  0.00  0.00    +0.118 C 
ATOM     15  O   LIG    1       -3.404   2.028  -2.024  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  N   LIG    1        1.818  -1.601   2.158  0.00  0.00    -0.213 N 
ATOM     17  H   LIG    1        1.465  -2.545   2.323  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.220  -1.321   0.814  0.00  0.00    +0.084 A 
ATOM     19  C   LIG    1        1.692  -2.083  -0.229  0.00  0.00    +0.146 A 
ATOM     20  F   LIG    1        0.842  -3.086   0.044  0.00  0.00    -0.204 F 
ATOM     21  C   LIG    1        2.025  -1.811  -1.548  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        2.899  -0.757  -1.829  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        3.446   0.027  -0.797  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        3.095  -0.272   0.530  0.00  0.00    +0.039 A 
BRANCH  23  25
ATOM     25  C   LIG    1        4.353   1.135  -1.089  0.00  0.00    +0.135 A 
ATOM     26  O   LIG    1        4.740   1.275  -2.394  0.00  0.00    -0.463 OA
ATOM     27  C   LIG    1        5.571   2.347  -2.460  0.00  0.00    +0.196 A 
ATOM     28  C   LIG    1        5.731   2.907  -1.216  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.947   2.127  -0.331  0.00  0.00    +0.050 A 
ENDBRANCH  23  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4