REMARK  Name = BDB019175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.709   0.471   1.627  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.802  -0.982   2.103  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.542  -1.155   2.784  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.490  -0.302   1.942  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.671   0.667   1.241  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.329  -1.161   0.958  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1        3.333  -0.369   0.124  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1        3.338  -0.472  -1.280  0.00  0.00    -0.038 A 
ATOM      9  C   LIG    1        4.287   0.231  -2.037  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        5.219   1.047  -1.401  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        5.226   1.158  -0.014  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1        6.375   1.914  -2.335  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        2.357  -1.387  -1.958  0.00  0.00    +0.063 C 
ATOM     14  C   LIG    1        1.122  -1.550  -1.088  0.00  0.00    +0.165 C 
ATOM     15  C   LIG    1        4.293   0.448   0.745  0.00  0.00    +0.008 A 
ATOM     16  O   LIG    1        1.484  -2.049   0.199  0.00  0.00    -0.369 OA
ENDBRANCH   4   6
BRANCH   1  22
ATOM     17  C   LIG    1       -5.452   1.339  -2.301  0.00  0.00    +0.066 C 
ATOM     18  C   LIG    1       -4.759   0.856  -1.066  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -3.399   1.055  -0.780  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1       -2.307   1.704  -1.415  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -1.208   1.564  -0.598  0.00  0.00    +0.091 A 
ATOM     22  N   LIG    1       -1.574   0.815   0.500  0.00  0.00    -0.303 N 
ATOM     23  C   LIG    1       -2.918   0.522   0.411  0.00  0.00    +0.146 A 
ATOM     24  N   LIG    1       -3.634  -0.165   1.323  0.00  0.00    -0.218 NA
ATOM     25  C   LIG    1       -4.920  -0.296   0.949  0.00  0.00    +0.223 A 
ATOM     26  N   LIG    1       -5.509   0.158  -0.172  0.00  0.00    -0.240 NA
ENDBRANCH   1  22
BRANCH   2  27
ATOM     27  O   LIG    1       -1.842  -1.238   3.054  0.00  0.00    -0.385 OA
ATOM     28  H   LIG    1       -2.678  -0.982   2.605  0.00  0.00    +0.210 HD
ENDBRANCH   2  27
BRANCH   3  29
ATOM     29  O   LIG    1        0.459  -0.610   4.114  0.00  0.00    -0.386 OA
ATOM     30  H   LIG    1       -0.411  -0.914   4.452  0.00  0.00    +0.210 HD
ENDBRANCH   3  29
TORSDOF 4