REMARK  Name = BDB014723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.839   4.635   0.620  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.902   3.630   0.990  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.540   2.288   0.970  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.128   1.855   0.890  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.035   0.420   0.514  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.914  -0.395   0.199  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.306  -1.644  -0.079  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.648  -1.631   0.036  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.126  -0.416   0.415  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.531  -0.006   0.647  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.527   1.304   1.462  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.036   4.012   1.279  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.350   0.090   0.203  0.00  0.00    -0.296 N 
ATOM     14  H   LIG    1        0.493   1.066   0.440  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.598  -0.520  -0.078  0.00  0.00    +0.069 A 
ATOM     16  C   LIG    1        2.760   0.273   0.014  0.00  0.00    +0.152 A 
ATOM     17  F   LIG    1        2.601   1.562   0.371  0.00  0.00    -0.203 F 
ATOM     18  C   LIG    1        4.045  -0.235  -0.237  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        4.158  -1.582  -0.600  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        3.021  -2.387  -0.701  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        1.753  -1.859  -0.441  0.00  0.00    +0.026 A 
BRANCH  18  22
ATOM     22  C   LIG    1        5.221   0.616  -0.135  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        6.503   0.180   0.137  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1        7.295   1.292   0.153  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1        8.715   1.345   0.400  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1        6.624   2.431  -0.090  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        5.364   2.019  -0.258  0.00  0.00    +0.143 A 
ENDBRANCH  18  22
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -3.403  -2.850  -0.229  0.00  0.00    +0.147 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.959  -2.874  -1.622  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -4.267  -4.189  -2.293  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -3.116  -3.351  -2.778  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 5