REMARK  Name = BDB043074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.981   0.366  -0.473  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        1.659  -0.428  -0.436  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        1.409  -1.281  -1.291  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.782  -0.155   0.595  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1        0.996   0.779   1.698  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -0.248   0.606   2.580  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1       -0.698  -0.832   2.327  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1       -2.186  -1.041   2.621  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1       -2.797  -2.091   1.693  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1       -2.652  -1.770   0.273  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1       -1.546  -0.863  -0.065  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1        1.113   2.240   1.252  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1        2.441   2.603   0.598  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -0.329  -1.073   0.856  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1        2.721   1.855  -0.702  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        5.146  -0.083  -1.768  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1        3.799  -0.186  -1.557  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1        3.290  -0.624  -2.322  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        5.610  -0.481  -2.836  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1        6.030   0.467  -0.625  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1        7.326   1.069  -1.168  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1        7.148  -1.646  -0.016  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1        6.244  -0.579   0.408  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1        5.344  -1.008   0.620  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1       -3.904  -1.461  -0.425  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.649  -0.200   0.050  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.929   0.015  -0.723  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1       -7.137  -0.526  -0.261  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -8.317  -0.341  -0.985  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -8.294   0.383  -2.175  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -9.748   0.612  -3.065  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -7.100   0.921  -2.649  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -5.919   0.736  -1.926  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6