REMARK  Name = BDB023242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.952  -0.838  -0.785  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -1.020  -0.091  -0.530  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.177   1.258  -0.206  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -0.368   1.817   0.047  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.365  -0.503  -0.491  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.332   0.411  -0.145  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.530  -0.235  -0.186  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.351  -1.561  -0.550  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.490  -2.370  -0.633  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.751  -1.832  -0.357  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.907  -0.484  -0.003  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.384  -3.663  -0.971  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.770   0.339   0.096  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.956  -1.727  -0.745  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.188   0.037   0.284  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.452  -0.452  -0.193  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.046   0.883   0.269  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.609   1.408   0.194  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1       -2.611   2.083  -0.255  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.308   3.395   0.283  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.145   1.938  -1.589  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.598   1.254   0.957  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -4.834   0.686   0.655  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -5.569   0.051   1.662  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -5.062  -0.033   2.960  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -3.827   0.535   3.264  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.096   1.183   2.268  0.00  0.00    +0.032 A 
BRANCH  23  28
ATOM     28  O   LIG    1       -5.393   0.799  -0.588  0.00  0.00    -0.487 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -5.436  -0.466  -1.285  0.00  0.00    +0.174 C 
ATOM     30  C   LIG    1       -6.033  -0.400  -2.665  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1       -6.805  -1.034  -1.546  0.00  0.00    +0.048 C 
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 6