REMARK  Name = BDB016122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.956   2.178   0.041  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.200   1.083   0.253  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.141   1.202   0.192  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.745   2.425  -0.101  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.881   3.487  -0.301  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.461   3.397  -0.235  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.412   0.591   0.375  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.019   0.760   0.311  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.424   2.023   0.109  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.288   3.125  -0.025  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.675   2.976   0.041  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.233   1.715   0.242  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.191  -4.314   0.313  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.326  -2.896   0.537  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.413  -2.427   1.174  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.214  -1.107   1.198  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.000  -0.722   0.582  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.452  -1.917   0.161  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.175   2.626  -0.190  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.828   3.119  -1.300  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.154   3.151  -0.975  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.246   3.575  -1.816  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.408   2.734   0.279  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.201   2.417   0.756  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.929   0.041   0.345  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1       -2.672   0.255   1.015  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.234  -1.179   0.806  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -2.293  -2.134   1.398  0.00  0.00    +0.168 C 
ATOM     29  C   LIG    1       -3.279  -2.637   0.335  0.00  0.00    +0.196 C 
ATOM     30  F   LIG    1       -3.778  -3.828   0.795  0.00  0.00    -0.243 F 
ATOM     31  C   LIG    1       -2.654  -2.878  -1.034  0.00  0.00    +0.040 C 
ATOM     32  C   LIG    1       -1.150  -3.086  -0.933  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1       -0.454  -1.858  -0.338  0.00  0.00    +0.025 C 
BRANCH  28  34
ATOM     34  O   LIG    1       -3.016  -1.457   2.445  0.00  0.00    -0.387 OA
ATOM     35  H   LIG    1       -3.663  -2.102   2.789  0.00  0.00    +0.210 HD
ENDBRANCH  28  34
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6