REMARK  Name = BDB020468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.741  -0.907   0.174  0.00  0.00    +0.165 A 
ATOM      2  C   LIG    1        2.694  -0.891   1.092  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1        1.407  -0.644   0.574  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        1.166  -0.444  -0.803  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.293  -0.505  -1.637  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        2.133  -0.330  -3.005  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        0.883  -0.099  -3.578  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.239  -0.030  -2.764  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.113  -0.189  -1.377  0.00  0.00    +0.011 A 
ATOM     10  N   LIG    1        3.531  -0.723  -1.168  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.310  -0.104  -0.560  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -2.158   0.980  -0.461  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -2.197   2.337  -1.033  0.00  0.00    +0.163 C 
ATOM     14  N   LIG    1       -3.588   2.724  -1.233  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -4.569   2.446  -0.282  0.00  0.00    +0.238 C 
ATOM     16  C   LIG    1       -4.238   1.425   0.811  0.00  0.00    +0.171 C 
ATOM     17  C   LIG    1       -3.950   2.153   2.120  0.00  0.00    +0.041 C 
ATOM     18  O   LIG    1       -5.667   3.009  -0.283  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -3.836   3.787  -2.191  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.126   0.580   0.420  0.00  0.00    -0.318 N 
ATOM     21  C   LIG    1       -2.843  -0.694   0.821  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -1.734  -1.124   0.260  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.676  -1.544   1.821  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.974  -2.152   1.357  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.781  -3.030   1.594  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH   9  11
BRANCH   1  30
ATOM     26  C   LIG    1        8.707  -1.479   0.107  0.00  0.00    +0.069 C 
ATOM     27  C   LIG    1        7.285  -1.343   0.471  0.00  0.00    +0.080 A 
ATOM     28  N   LIG    1        6.884  -1.374   1.775  0.00  0.00    -0.134 NA
ATOM     29  N   LIG    1        5.566  -1.225   1.806  0.00  0.00    -0.059 NA
ATOM     30  N   LIG    1        5.110  -1.102   0.541  0.00  0.00    -0.201 N 
ATOM     31  C   LIG    1        6.182  -1.165  -0.329  0.00  0.00    +0.141 A 
ENDBRANCH   1  30
BRANCH   2  32
ATOM     32  C   LIG    1        2.821  -1.124   2.570  0.00  0.00    +0.375 C 
ATOM     33  F   LIG    1        3.388  -2.318   2.888  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        3.517  -0.149   3.213  0.00  0.00    -0.204 F 
ENDBRANCH   2  32
TORSDOF 4