REMARK  Name = BDB023254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.292  -0.719  -2.281  0.00  0.00    -0.177 N 
ATOM      2  H   LIG    1       -0.746  -0.704  -3.132  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.670  -0.828  -1.030  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.296  -1.079  -0.012  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.759  -0.584  -1.073  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.464  -0.740   0.094  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.769  -0.463  -0.166  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.928  -0.122  -1.498  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.218   0.194  -1.938  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.290   0.159  -1.040  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.100  -0.180   0.308  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.438   0.528  -3.217  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.810  -0.511   0.761  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.634  -0.199  -2.078  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.198  -0.223   1.196  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.165  -0.091   2.626  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.680   0.130   2.555  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.434   0.502   1.089  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.834  -1.284  -2.561  0.00  0.00    +0.094 S 
ATOM     20  O   LIG    1       -2.772  -2.729  -2.508  0.00  0.00    -0.148 OA
ATOM     21  O   LIG    1       -3.270  -0.606  -3.767  0.00  0.00    -0.148 OA
BRANCH  19  28
ATOM     22  N   LIG    1       -5.354  -0.751   0.256  0.00  0.00    -0.262 N 
ATOM     23  C   LIG    1       -5.072   0.580   0.060  0.00  0.00    +0.071 A 
ATOM     24  C   LIG    1       -4.150   0.611  -0.986  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -3.664   1.859  -1.429  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -4.112   3.028  -0.805  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.027   2.968   0.244  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -3.948  -0.754  -1.326  0.00  0.00    +0.226 A 
ATOM     29  C   LIG    1       -5.525   1.744   0.698  0.00  0.00    +0.028 A 
ATOM     30  N   LIG    1       -4.710  -1.580  -0.585  0.00  0.00    -0.149 NA
BRANCH  22  32
ATOM     31  C   LIG    1       -5.543  -1.614   2.555  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1       -6.251  -1.317   1.246  0.00  0.00    +0.141 C 
ENDBRANCH  22  32
ENDBRANCH  19  28
ENDBRANCH   1  19
TORSDOF 5