REMARK  Name = BDB023291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.067  -0.550   1.231  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -2.107  -0.573   0.218  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.864  -0.277   1.896  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.803  -0.070   3.098  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.285  -0.256   1.007  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.502   0.080   1.548  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.426   0.041   0.553  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.827  -0.318  -0.642  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.643  -0.409  -1.776  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.011  -0.136  -1.676  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.592   0.237  -0.454  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.123  -0.757  -2.961  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.786   0.320   0.696  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.452  -0.512  -0.347  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.978   0.495  -0.371  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.656   1.295   0.611  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.863   1.276  -0.332  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.848   0.931  -1.427  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.543  -0.464   1.997  0.00  0.00    +0.080 S 
ATOM     20  O   LIG    1       -3.764   0.907   2.398  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.593  -1.582   2.910  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.480  -0.424  -0.623  0.00  0.00    +0.149 A 
ATOM     23  C   LIG    1       -4.726  -0.774   0.716  0.00  0.00    +0.178 A 
ATOM     24  C   LIG    1       -5.971  -1.343   1.062  0.00  0.00    +0.132 A 
ATOM     25  C   LIG    1       -6.892  -1.595   0.037  0.00  0.00    +0.062 A 
ATOM     26  S   LIG    1       -8.287  -2.289   0.775  0.00  0.00    +0.037 S 
ATOM     27  N   LIG    1       -7.644  -2.204   2.309  0.00  0.00    -0.109 NA
ATOM     28  C   LIG    1       -6.635  -1.304  -1.309  0.00  0.00    +0.022 A 
ATOM     29  N   LIG    1       -6.428  -1.691   2.331  0.00  0.00    -0.139 NA
ATOM     30  C   LIG    1       -5.410  -0.713  -1.622  0.00  0.00    +0.049 A 
BRANCH  22  32
ATOM     31  C   LIG    1       -3.479   1.543  -1.299  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -3.291   0.153  -0.995  0.00  0.00    -0.493 OA
ENDBRANCH  22  32
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5