REMARK  Name = BDB019170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.777   0.773   1.389  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.457  -0.716   1.524  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        1.056  -0.678   1.671  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.478   0.497   0.784  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.338   1.392   0.703  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        1.907   0.082  -0.648  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1        3.309  -0.525  -0.702  0.00  0.00    -0.012 A 
ATOM      8  C   LIG    1        3.546  -1.742  -1.384  0.00  0.00    -0.021 A 
ATOM      9  C   LIG    1        4.839  -2.294  -1.383  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1        5.898  -1.622  -0.771  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        5.681  -0.393  -0.156  0.00  0.00    +0.002 A 
ATOM     12 CL   LIG    1        5.182  -3.814  -2.130  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        2.392  -2.431  -2.071  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1        1.284  -1.433  -2.376  0.00  0.00    +0.165 C 
ATOM     15  C   LIG    1        4.399   0.154  -0.128  0.00  0.00    +0.006 A 
ATOM     16  O   LIG    1        0.894  -0.803  -1.162  0.00  0.00    -0.369 OA
ENDBRANCH   4   6
BRANCH   1  22
ATOM     17  C   LIG    1       -6.568   2.081  -0.379  0.00  0.00    +0.066 C 
ATOM     18  C   LIG    1       -5.440   1.875   0.582  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -4.133   1.536   0.200  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1       -3.451   1.307  -1.026  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -2.140   1.007  -0.726  0.00  0.00    +0.091 A 
ATOM     22  N   LIG    1       -1.998   1.041   0.643  0.00  0.00    -0.303 N 
ATOM     23  C   LIG    1       -3.204   1.363   1.219  0.00  0.00    +0.146 A 
ATOM     24  N   LIG    1       -3.434   1.486   2.538  0.00  0.00    -0.218 NA
ATOM     25  C   LIG    1       -4.716   1.794   2.792  0.00  0.00    +0.223 A 
ATOM     26  N   LIG    1       -5.715   1.991   1.910  0.00  0.00    -0.240 NA
ENDBRANCH   1  22
BRANCH   2  27
ATOM     27  O   LIG    1       -1.058  -1.346   2.656  0.00  0.00    -0.385 OA
ATOM     28  H   LIG    1       -0.537  -1.042   3.428  0.00  0.00    +0.210 HD
ENDBRANCH   2  27
BRANCH   3  29
ATOM     29  O   LIG    1        1.349  -0.385   3.055  0.00  0.00    -0.386 OA
ATOM     30  H   LIG    1        2.315  -0.464   3.167  0.00  0.00    +0.210 HD
ENDBRANCH   3  29
TORSDOF 4