REMARK  Name = BDB013225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.498   0.146  -0.213  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.596  -0.796  -0.772  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.732  -0.662  -0.449  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.360  -1.712  -1.050  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.491  -2.416  -1.740  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.217   0.356   0.377  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.381   1.200   0.920  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.748  -1.837  -1.564  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.960   1.068   0.616  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.006   2.326  -1.697  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        3.672   1.123  -1.091  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        2.953   0.132  -0.431  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        3.713  -0.935   0.021  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1        5.052  -1.028  -0.108  0.00  0.00    -0.203 NA
ATOM     15  C   LIG    1        5.647  -0.004  -0.741  0.00  0.00    +0.318 A 
ATOM     16  N   LIG    1        5.017   1.072  -1.238  0.00  0.00    -0.200 NA
BRANCH  15  17
ATOM     17  O   LIG    1        7.021  -0.009  -0.915  0.00  0.00    -0.459 OA
BRANCH  17  18
ATOM     18  C   LIG    1        7.684  -1.179  -0.399  0.00  0.00    +0.177 C 
ATOM     19  C   LIG    1        8.321  -1.044   0.958  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        9.180  -1.055  -0.272  0.00  0.00    +0.048 C 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.563   0.469   0.652  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.655   1.135   1.421  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.477   0.893  -0.407  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.861   1.063   0.149  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.600   0.004   0.671  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.232  -1.421   0.861  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.611  -1.994   1.191  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.457  -0.931   1.685  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.872   0.206   1.192  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.470   1.450   1.220  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.756   2.524   0.690  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.473   2.324   0.163  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.817   3.383  -0.333  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6