REMARK  Name = BDB017011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.693  -0.160  -0.361  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.954   0.091  -1.501  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.773  -0.441  -1.277  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.717  -1.031  -0.046  0.00  0.00    -0.335 N 
ATOM      5  C   LIG    1        1.933  -0.862   0.552  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        6.051   1.357  -0.940  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.730   0.974  -1.165  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        4.074   0.262  -0.171  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        4.667  -0.075   1.006  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        5.946   0.311   1.193  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.675   1.021   0.261  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        7.984   2.484  -1.810  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        6.831   2.118  -1.941  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.131   2.386  -3.056  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.756   2.886  -3.622  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -0.414  -1.749   0.505  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.519  -0.824   1.045  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.313  -0.171  -0.018  0.00  0.00    -0.292 NA
ATOM     19  C   LIG    1       -3.148   0.927   0.563  0.00  0.00    +0.121 C 
ATOM     20  C   LIG    1       -4.531   0.377   0.685  0.00  0.00    -0.011 A 
ATOM     21  C   LIG    1       -4.609  -0.821  -0.020  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1       -5.795  -1.533  -0.104  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -6.919  -1.022   0.548  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -6.844   0.188   1.259  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -5.642   0.897   1.324  0.00  0.00    +0.046 A 
ATOM     26 CL   LIG    1       -5.570   2.382   2.183  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -3.282  -1.121  -0.638  0.00  0.00    +0.120 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6