REMARK  Name = BDB023098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.743   0.341   0.911  0.00  0.00    +0.188 C 
ATOM      2  C   LIG    1        0.580  -1.170   1.104  0.00  0.00    +0.179 C 
ATOM      3  C   LIG    1       -0.863  -1.441   0.709  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1       -1.553  -0.172   1.200  0.00  0.00    +0.253 C 
ATOM      5  O   LIG    1       -0.582   0.900   1.143  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1       -2.729   0.199   0.442  0.00  0.00    -0.286 N 
ATOM      7  C   LIG    1       -4.022  -0.029   0.830  0.00  0.00    +0.167 A 
ATOM      8  C   LIG    1       -4.797   0.461  -0.208  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1       -6.190   0.343  -0.065  0.00  0.00    +0.147 A 
ATOM     10  N   LIG    1       -6.679  -0.212   1.067  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1       -5.801  -0.652   1.995  0.00  0.00    +0.225 A 
ATOM     12  N   LIG    1       -4.005   0.998  -1.202  0.00  0.00    -0.231 NA
ATOM     13  N   LIG    1       -4.454  -0.598   1.967  0.00  0.00    -0.216 NA
ATOM     14  C   LIG    1       -2.771   0.823  -0.777  0.00  0.00    +0.203 A 
BRANCH   9  15
ATOM     15  N   LIG    1       -7.094   0.791  -1.021  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1       -6.699   1.480  -1.651  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -8.004   0.979  -0.624  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   4   6
BRANCH   1  18
ATOM     18  C   LIG    1        1.300   0.757  -0.493  0.00  0.00    +0.117 C 
ATOM     19  C   LIG    1        1.128   2.278  -0.675  0.00  0.00    +0.049 C 
BRANCH  18  26
ATOM     20  C   LIG    1        5.860  -0.930   1.075  0.00  0.00    +0.045 C 
ATOM     21  C   LIG    1        4.984  -0.413  -0.033  0.00  0.00    -0.032 A 
ATOM     22  C   LIG    1        5.471  -0.239  -1.335  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1        7.105  -0.610  -1.751  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        4.635   0.247  -2.337  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        3.305   0.561  -2.051  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        2.772   0.392  -0.758  0.00  0.00    -0.013 A 
ATOM     27  C   LIG    1        3.639  -0.089   0.240  0.00  0.00    +0.011 A 
ENDBRANCH  18  26
BRANCH  18  28
ATOM     28  O   LIG    1        0.473   0.124  -1.486  0.00  0.00    -0.382 OA
ATOM     29  H   LIG    1        1.021  -0.471  -2.028  0.00  0.00    +0.211 HD
ENDBRANCH  18  28
ENDBRANCH   1  18
BRANCH   2  30
ATOM     30  O   LIG    1        0.749  -1.525   2.493  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1        0.399  -0.805   3.052  0.00  0.00    +0.210 HD
ENDBRANCH   2  30
BRANCH   3  32
ATOM     32  O   LIG    1       -1.349  -2.634   1.324  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -0.764  -2.815   2.088  0.00  0.00    +0.210 HD
ENDBRANCH   3  32
TORSDOF 7