REMARK  Name = BDB014049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.635  -0.059   0.469  0.00  0.00    -0.242 N 
ATOM      2  C   LIG    1        0.467  -1.373   0.810  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1       -0.859  -1.684   0.539  0.00  0.00    +0.087 A 
ATOM      4  C   LIG    1       -1.269  -2.975   0.896  0.00  0.00    +0.131 A 
ATOM      5  N   LIG    1       -0.356  -3.834   1.399  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        0.908  -3.411   1.570  0.00  0.00    +0.225 A 
ATOM      7  C   LIG    1       -1.376  -0.493  -0.036  0.00  0.00    +0.121 A 
ATOM      8  N   LIG    1        1.403  -2.191   1.320  0.00  0.00    -0.216 NA
ATOM      9  N   LIG    1       -0.484   0.511  -0.023  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -2.766  -0.198  -0.675  0.00  0.00    +0.069 A 
ATOM     11  N   LIG    1       -3.124   1.065  -1.075  0.00  0.00    -0.350 N 
ATOM     12  H   LIG    1       -2.532   1.880  -0.983  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1       -4.395   1.067  -1.594  0.00  0.00    +0.090 A 
ATOM     14  C   LIG    1       -4.856  -0.251  -1.558  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -6.148  -0.494  -2.064  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1       -6.935   0.542  -2.571  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -6.441   1.845  -2.586  0.00  0.00    +0.049 A 
ATOM     18 CL   LIG    1       -6.702  -2.110  -2.016  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -5.162   2.121  -2.098  0.00  0.00    +0.141 A 
ATOM     20  C   LIG    1       -3.807  -1.040  -0.990  0.00  0.00    +0.039 A 
BRANCH  19  21
ATOM     21  O   LIG    1       -4.650   3.388  -2.104  0.00  0.00    -0.505 OA
ATOM     22  H   LIG    1       -5.312   3.986  -2.489  0.00  0.00    +0.292 HD
ENDBRANCH  19  21
ENDBRANCH   7  10
BRANCH   1  28
ATOM     23  C   LIG    1        6.967   1.535   0.470  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        6.051   0.922   1.500  0.00  0.00    +0.212 C 
ATOM     25  N   LIG    1        4.731   0.709   1.120  0.00  0.00    -0.302 N 
ATOM     26  C   LIG    1        3.800   0.140   2.093  0.00  0.00    +0.110 C 
ATOM     27  C   LIG    1        2.427   0.795   1.992  0.00  0.00    +0.046 C 
ATOM     28  C   LIG    1        1.855   0.736   0.564  0.00  0.00    +0.112 C 
ATOM     29  C   LIG    1        2.883   0.303  -0.489  0.00  0.00    +0.046 C 
ATOM     30  C   LIG    1        4.230   0.963  -0.230  0.00  0.00    +0.110 C 
ATOM     31  O   LIG    1        6.481   0.632   2.616  0.00  0.00    -0.276 OA
ENDBRANCH   1  28
BRANCH   4  32
ATOM     32  N   LIG    1       -2.573  -3.451   0.849  0.00  0.00    -0.342 N 
ATOM     33  H   LIG    1       -2.627  -4.323   1.366  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1       -3.258  -2.760   1.131  0.00  0.00    +0.144 HD
ENDBRANCH   4  32
TORSDOF 4