REMARK  Name = BDB012680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.287  -0.976   0.493  0.00  0.00    -0.260 N 
ATOM      2  C   LIG    1       -0.576  -0.979   1.835  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -1.943  -0.715   1.903  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -2.563  -0.652   3.168  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -1.781  -0.855   4.304  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -0.418  -1.113   4.218  0.00  0.00    +0.040 A 
ATOM      7  F   LIG    1       -2.359  -0.797   5.511  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -2.368  -0.564   0.547  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1        0.217  -1.180   2.975  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1       -1.345  -0.717  -0.295  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -3.658  -0.292   0.231  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -4.314  -0.204   1.011  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -4.306  -0.101  -1.013  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -5.688   0.187  -1.087  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1       -6.314   0.377  -2.326  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1       -5.550   0.277  -3.470  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -4.234   0.006  -3.457  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -3.650  -0.175  -2.242  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -6.491   0.290   0.160  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -6.061   0.143   1.292  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -7.788   0.571  -0.059  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -8.186   0.608   0.836  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  23
ATOM     23  C   LIG    1        1.005  -1.195  -0.122  0.00  0.00    +0.172 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.707   0.116  -0.437  0.00  0.00    +0.183 C 
BRANCH  24  25
ATOM     25  O   LIG    1        3.025  -0.173  -0.913  0.00  0.00    -0.377 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.732   1.025  -1.255  0.00  0.00    +0.175 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.164   0.689  -1.709  0.00  0.00    +0.112 C 
BRANCH  27  29
ATOM     28  C   LIG    1        7.486   0.359  -1.159  0.00  0.00    +0.104 C 
ATOM     29  N   LIG    1        6.141   0.539  -0.607  0.00  0.00    -0.306 NA
ATOM     30  C   LIG    1        5.809  -0.591   0.264  0.00  0.00    +0.104 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 10