REMARK  Name = BDB061188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.313  -0.351  -0.266  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1        1.496  -1.041   0.689  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1        0.151  -0.761   0.696  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1       -0.369  -1.484   1.729  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.572  -2.210   2.287  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.454   0.129  -0.193  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.278   0.772  -1.058  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        1.752  -1.926   1.635  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        1.633   0.502  -1.074  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        4.238  -1.908  -0.030  0.00  0.00    +0.136 C 
ATOM     11  N   LIG    1        3.708  -0.572  -0.366  0.00  0.00    -0.297 N 
BRANCH  11  12
ATOM     12  C   LIG    1        4.625   0.447  -0.491  0.00  0.00    +0.072 A 
ATOM     13  C   LIG    1        5.960   0.338  -0.816  0.00  0.00    +0.131 A 
ATOM     14  N   LIG    1        6.465   1.607  -0.813  0.00  0.00    -0.273 N 
ATOM     15  C   LIG    1        7.822   2.002  -1.103  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1        5.558   2.547  -0.499  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1        4.442   1.840  -0.292  0.00  0.00    +0.157 A 
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   6  18
ATOM     18  N   LIG    1       -1.813   0.361  -0.156  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.985   1.186  -0.733  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.727  -0.687  -0.611  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.140  -0.180  -0.597  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.779   0.248   0.564  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.266   0.376   1.950  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.586   0.609   2.686  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.563   1.121   1.751  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -6.086   0.720   0.530  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.817   0.788  -0.638  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.205   0.349  -1.811  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.888  -0.129  -1.782  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -4.335  -0.540  -2.932  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5