REMARK  Name = BDB019183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.912   1.523  -0.180  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.459   1.136  -1.593  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.793   0.323  -1.302  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.392   1.090  -0.130  0.00  0.00    +0.186 C 
ATOM      5  O   LIG    1       -0.250   1.479   0.681  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1        6.229  -1.435   0.927  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1        5.316  -0.439   0.284  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        3.952  -0.313   0.589  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        3.031  -0.952   1.462  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        1.800  -0.355   1.283  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.942   0.632   0.339  0.00  0.00    -0.303 N 
ATOM     12  C   LIG    1        3.244   0.663  -0.099  0.00  0.00    +0.146 A 
ATOM     13  N   LIG    1        3.725   1.495  -1.041  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1        5.037   1.290  -1.252  0.00  0.00    +0.223 A 
ATOM     15  N   LIG    1        5.844   0.389  -0.659  0.00  0.00    -0.240 NA
ENDBRANCH   1  11
BRANCH   4  16
ATOM     16  C   LIG    1       -2.427   0.345   0.741  0.00  0.00    +0.186 C 
ATOM     17  C   LIG    1       -3.841   0.341   0.209  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -4.622  -0.786   0.026  0.00  0.00    -0.031 A 
ATOM     19  C   LIG    1       -5.921  -0.470  -0.471  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1       -6.071   0.885  -0.619  0.00  0.00    +0.079 A 
ATOM     21 CL   LIG    1       -7.470   1.706  -1.182  0.00  0.00    -0.076 Cl
ATOM     22  C   LIG    1       -4.070  -2.129   0.356  0.00  0.00    +0.064 C 
ATOM     23  C   LIG    1       -2.543  -2.064   0.267  0.00  0.00    +0.165 C 
ATOM     24  S   LIG    1       -4.701   1.771  -0.168  0.00  0.00    -0.079 S 
ATOM     25  O   LIG    1       -2.005  -1.006   1.078  0.00  0.00    -0.368 OA
ENDBRANCH   4  16
BRANCH   2  26
ATOM     26  O   LIG    1        0.082   2.289  -2.373  0.00  0.00    -0.385 OA
ATOM     27  H   LIG    1        0.907   2.771  -2.574  0.00  0.00    +0.210 HD
ENDBRANCH   2  26
BRANCH   3  28
ATOM     28  O   LIG    1       -1.651   0.254  -2.431  0.00  0.00    -0.386 OA
ATOM     29  H   LIG    1       -1.556   1.117  -2.887  0.00  0.00    +0.210 HD
ENDBRANCH   3  28
TORSDOF 4