REMARK  Name = BDB023155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.193  -0.705   2.092  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        1.161  -1.378   1.340  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.183   0.262   2.232  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        0.183   1.085   3.135  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.849   0.166   1.216  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.978   0.931   1.384  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.803   0.695   0.331  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -2.226  -0.221  -0.532  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -2.945  -0.574  -1.679  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -4.203  -0.011  -1.916  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.771   0.906  -1.019  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -2.438  -1.452  -2.556  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.053   1.280   0.131  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -0.968  -0.555   0.038  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -6.037   1.473  -1.283  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -6.954   2.034  -0.330  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -8.014   1.957  -1.433  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -7.097   0.911  -2.073  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        2.595  -0.623   2.981  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1        2.281  -0.974   4.348  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        3.312   0.584   2.644  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1        4.196  -1.885   1.063  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1        3.540  -1.984   2.303  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        3.702  -3.127   3.106  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1        4.517  -4.174   2.681  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.188  -4.081   1.466  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.032  -2.946   0.668  0.00  0.00    +0.015 A 
BRANCH  22  30
ATOM     28  C   LIG    1        4.166   0.729  -1.308  0.00  0.00    +0.172 A 
ATOM     29  N   LIG    1        4.945  -0.116  -0.557  0.00  0.00    -0.192 NA
ATOM     30  C   LIG    1        4.045  -0.776   0.135  0.00  0.00    +0.260 A 
ATOM     31  O   LIG    1        2.763  -0.455  -0.211  0.00  0.00    -0.333 OA
ATOM     32  N   LIG    1        2.845   0.556  -1.164  0.00  0.00    -0.061 NA
BRANCH  28  34
ATOM     33  C   LIG    1        5.030   3.057  -1.515  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1        4.747   1.741  -2.222  0.00  0.00    +0.076 C 
ENDBRANCH  28  34
ENDBRANCH  22  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6