REMARK  Name = BDB023302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.524   0.048  -1.471  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.213   0.603  -2.258  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.647  -0.466  -0.507  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.045  -1.072   0.476  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.745  -0.154  -0.770  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.663  -0.484   0.196  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.891  -0.109  -0.248  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.788   0.468  -1.502  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.968   0.910  -2.112  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.192   0.765  -1.452  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.267   0.186  -0.175  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.936   1.472  -3.328  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.091  -0.273   0.443  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.408   0.436  -1.836  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.515   0.035   0.469  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.702   0.818   0.265  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.228   0.203   1.566  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.757  -0.089   1.879  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.115  -0.417  -1.607  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -3.119  -1.861  -1.562  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.599   0.307  -2.764  0.00  0.00    -0.150 OA
BRANCH  19  31
ATOM     22  C   LIG    1       -6.006  -1.858  -1.650  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1       -6.087  -1.302  -0.256  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1       -5.193  -0.327   0.322  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -5.596   0.175   1.592  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.912   1.218   2.238  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -3.804   1.815   1.661  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -3.331   1.331   0.454  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1       -6.713  -0.368   2.229  0.00  0.00    +0.119 A 
ATOM     30  N   LIG    1       -7.493  -1.341   1.731  0.00  0.00    -0.262 NA
ATOM     31  C   LIG    1       -3.970   0.250  -0.190  0.00  0.00    +0.117 A 
ATOM     32  C   LIG    1       -7.166  -1.774   0.504  0.00  0.00    +0.114 A 
ENDBRANCH  19  31
ENDBRANCH   1  19
TORSDOF 4