REMARK  Name = BDB018543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.965   2.432  -0.082  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.478   2.181   0.075  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.249   3.204   0.500  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.745   4.465   0.770  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.668   5.500   1.209  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        0.598   4.775   0.609  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        1.100   5.877   0.805  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.466   3.656   0.170  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.796  -0.579  -1.072  0.00  0.00    +0.119 A 
ATOM     10  N   LIG    1        3.179  -0.610   0.125  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1        2.285   0.368   0.408  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        1.956   1.405  -0.457  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.598   1.424  -1.694  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.520   0.423  -2.002  0.00  0.00    +0.044 A 
BRANCH   9  15
ATOM     15  N   LIG    1        4.712  -1.578  -1.440  0.00  0.00    -0.329 N 
ATOM     16  H   LIG    1        5.569  -1.128  -1.746  0.00  0.00    +0.147 HD
BRANCH  15  18
ATOM     17  C   LIG    1        3.904  -3.686  -0.460  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        4.976  -2.607  -0.436  0.00  0.00    +0.099 C 
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1       -1.066   0.904  -0.211  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -1.946   0.217   0.597  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -2.288  -0.948  -0.056  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1       -1.609  -1.054  -1.230  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1       -0.897   0.069  -1.326  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.183  -1.993   0.336  0.00  0.00    +0.085 A 
ATOM     25  C   LIG    1       -4.165  -1.861   1.334  0.00  0.00    +0.112 A 
ATOM     26  C   LIG    1       -4.959  -2.973   1.653  0.00  0.00    +0.143 A 
ATOM     27  F   LIG    1       -5.904  -2.875   2.600  0.00  0.00    -0.204 F 
ATOM     28  C   LIG    1       -4.815  -4.193   1.001  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1       -3.868  -4.321  -0.005  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.063  -3.230  -0.339  0.00  0.00    +0.029 A 
BRANCH  25  31
ATOM     31  C   LIG    1       -4.486  -0.642   2.010  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1       -4.738   0.358   2.544  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  21  24
ENDBRANCH   2  19
TORSDOF 6