REMARK  Name = BDB015636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.456   1.823  -0.282  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1        0.941   0.635  -0.026  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -0.389   0.613   0.014  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1       -1.167   1.654  -0.267  0.00  0.00    -0.175 NA
ATOM      5  C   LIG    1       -0.516   2.779  -0.557  0.00  0.00    +0.328 A 
ATOM      6  N   LIG    1        0.802   2.917  -0.622  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.066  -0.664   0.360  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -0.358  -1.665   0.919  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -0.928  -2.881   1.260  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -0.074  -3.896   1.859  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.278  -3.162   1.057  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -2.813  -4.231   1.339  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.088  -2.054   0.454  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.544  -2.321   0.243  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.488  -0.894   0.140  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.834   1.923  -0.497  0.00  0.00    -0.188 N 
ATOM     17  H   LIG    1        3.088   2.889  -0.695  0.00  0.00    +0.176 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.834   1.286   0.674  0.00  0.00    +0.045 S 
ATOM     19  O   LIG    1        4.891   2.266   0.826  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.088   0.837   1.827  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.569  -0.127  -0.147  0.00  0.00    +0.189 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.564  -1.196  -0.549  0.00  0.00    +0.024 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.210  -2.431  -1.183  0.00  0.00    +0.001 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.492  -3.745   0.988  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        5.157  -3.223  -0.277  0.00  0.00    -0.003 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  O   LIG    1       -1.239   3.909  -0.923  0.00  0.00    -0.420 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.547   3.953  -0.498  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1       -2.849   4.035   0.864  0.00  0.00    +0.166 A 
ATOM     29  F   LIG    1       -1.866   4.049   1.775  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -4.168   4.108   1.295  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.198   4.114   0.356  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -4.902   4.055  -1.010  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -3.573   3.985  -1.454  0.00  0.00    -0.005 A 
ATOM     34  C   LIG    1       -3.265   3.921  -2.922  0.00  0.00    +0.047 C 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 9