REMARK  Name = BDB013150
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.910  -0.034   0.310  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        1.219   1.002  -0.395  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.144   1.083  -0.233  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.539   2.176  -0.947  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.496   2.703  -1.561  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.875   0.195   0.556  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.255  -0.742   1.217  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.605   1.966  -1.211  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.117  -0.829   1.071  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  N   LIG    1        5.439  -0.136  -0.423  0.00  0.00    -0.266 N 
ATOM     11  N   LIG    1        5.480  -0.918   0.673  0.00  0.00    -0.140 NA
ATOM     12  C   LIG    1        4.207  -0.960   1.066  0.00  0.00    +0.241 A 
ATOM     13  F   LIG    1        3.822  -1.635   2.158  0.00  0.00    -0.182 F 
ATOM     14  C   LIG    1        3.335  -0.230   0.228  0.00  0.00    +0.061 A 
ATOM     15  C   LIG    1        4.178   0.292  -0.733  0.00  0.00    +0.120 A 
BRANCH  10  17
ATOM     16  C   LIG    1        7.310  -1.080  -1.731  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1        6.663   0.179  -1.155  0.00  0.00    +0.101 C 
ATOM     18  C   LIG    1        7.646   0.965  -0.288  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  N   LIG    1       -2.242   0.310   0.665  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.533  -0.239   1.472  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.077  -0.077  -0.469  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.508   0.254  -0.170  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -5.351  -0.608   0.525  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.116  -1.981   1.033  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -6.357  -2.138   1.912  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -7.378  -1.223   1.453  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.672  -0.259   0.782  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -7.212   0.944   0.373  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -6.379   1.831  -0.308  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -5.046   1.485  -0.567  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -4.274   2.361  -1.228  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5