REMARK  Name = BDB019720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.168   0.792   0.539  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        2.324   0.591  -0.223  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        3.086   1.680  -0.693  0.00  0.00    -0.011 A 
ATOM      4  C   LIG    1        2.632   2.977  -0.391  0.00  0.00    +0.046 A 
ATOM      5 CL   LIG    1        3.437   4.388  -0.982  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        1.490   3.175   0.396  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        0.763   2.085   0.873  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1       -0.935  -0.468   0.824  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -1.294  -1.371   1.114  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1        0.422  -0.391   1.025  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1        1.018  -1.303   1.588  0.00  0.00    -0.270 OA
BRANCH   8  12
ATOM     12  C   LIG    1       -1.664   0.193  -0.241  0.00  0.00    +0.140 C 
BRANCH  12  17
ATOM     13  C   LIG    1       -4.965  -1.422  -1.254  0.00  0.00    +0.124 A 
ATOM     14  C   LIG    1       -5.800  -0.996  -0.222  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -5.305  -0.189   0.810  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1       -3.965   0.198   0.799  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1       -3.112  -0.217  -0.236  0.00  0.00    -0.023 A 
ATOM     18  C   LIG    1       -3.624  -1.032  -1.254  0.00  0.00    +0.051 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -6.681  -2.651  -2.347  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -5.328  -2.213  -2.309  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
BRANCH  15  21
ATOM     21  O   LIG    1       -6.231   0.150   1.759  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1       -5.771   0.918   2.865  0.00  0.00    +0.277 C 
ENDBRANCH  15  21
ENDBRANCH  12  17
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   3  23
ATOM     23  C   LIG    1        4.324   1.466  -1.543  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.872   0.121  -1.429  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        5.225  -0.236  -2.308  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        5.679  -0.207  -0.394  0.00  0.00    +0.176 C 
ATOM     27  N   LIG    1        6.200  -1.459  -0.488  0.00  0.00    -0.316 N 
ATOM     28  H   LIG    1        5.527  -2.142  -0.816  0.00  0.00    +0.149 HD
ATOM     29  C   LIG    1        6.775  -1.766   0.807  0.00  0.00    +0.127 C 
ATOM     30  C   LIG    1        6.879  -0.373   1.436  0.00  0.00    +0.163 C 
ATOM     31  N   LIG    1        5.969   0.505   0.652  0.00  0.00    -0.255 NA
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8