REMARK  Name = BDB040892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.185  -1.957  -0.378  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1       -1.917  -0.759  -0.421  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1       -1.927   0.194   0.586  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.928   1.126   0.206  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -3.404   0.854  -1.012  0.00  0.00    -0.174 NA
ATOM      6  C   LIG    1       -3.480   2.287   0.952  0.00  0.00    +0.068 C 
ATOM      7  C   LIG    1       -1.093   0.011   1.812  0.00  0.00    +0.083 C 
ATOM      8  C   LIG    1        0.123  -0.884   1.496  0.00  0.00    +0.172 C 
ATOM      9  N   LIG    1       -2.792  -0.286  -1.376  0.00  0.00    -0.247 N 
ATOM     10  C   LIG    1       -0.327  -2.151   0.732  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1        0.145  -3.255   1.012  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -0.731   1.362   2.409  0.00  0.00    -0.037 A 
ATOM     13  C   LIG    1       -0.121   2.392   1.668  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        0.216   3.607   2.270  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -0.048   3.800   3.618  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1        0.272   4.966   4.194  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -0.641   2.801   4.378  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -0.977   1.586   3.777  0.00  0.00    +0.007 A 
ENDBRANCH   7  12
BRANCH   8  19
ATOM     19  N   LIG    1        1.157  -0.258   0.655  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1        0.908  -0.076  -0.308  0.00  0.00    +0.150 HD
ATOM     21  C   LIG    1        2.495  -0.373   0.968  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1        2.906  -0.863   2.012  0.00  0.00    -0.270 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.455   0.112  -0.062  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.727  -0.475  -0.113  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        5.665  -0.064  -1.069  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1        7.034  -0.676  -1.098  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        5.328   0.968  -1.953  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        4.068   1.567  -1.897  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.131   1.143  -0.953  0.00  0.00    +0.013 A 
ENDBRANCH  21  23
ENDBRANCH   8  19
BRANCH   9  30
ATOM     30  C   LIG    1       -2.988  -0.818  -2.748  0.00  0.00    +0.109 C 
ATOM     31  C   LIG    1       -4.150  -0.397  -3.624  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1       -4.092  -1.793  -3.087  0.00  0.00    +0.029 C 
ENDBRANCH   9  30
BRANCH   1  34
ATOM     33  C   LIG    1       -2.606  -3.961  -0.686  0.00  0.00    +0.025 C 
ATOM     34  C   LIG    1       -1.442  -3.131  -1.208  0.00  0.00    +0.112 C 
ENDBRANCH   1  34
TORSDOF 5