REMARK  Name = BDB057039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.987  -0.053  -0.094  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.905   0.186  -1.138  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.207  -0.154  -0.840  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.434  -0.176   0.142  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.546   0.670  -2.209  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.268  -0.587   0.093  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        2.355  -0.275   1.200  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.252   0.721   0.846  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.428   0.281  -0.380  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.125  -0.840  -1.167  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.626  -0.570  -1.230  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.491   0.233   0.139  0.00  0.00    +0.084 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.575  -0.249  -0.838  0.00  0.00    +0.015 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.854   0.595  -0.788  0.00  0.00    +0.001 C 
BRANCH  14  16
ATOM     15  C   LIG    1        8.942   1.222   0.474  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        7.622   0.466   0.527  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -4.311  -0.178  -1.716  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -5.581  -0.315  -1.140  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -6.739  -0.358  -1.936  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1       -6.607  -0.284  -3.329  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -5.346  -0.158  -3.908  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.204  -0.107  -3.105  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -8.094  -0.522  -1.296  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1       -8.202   0.134  -0.106  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -8.386  -1.825  -1.030  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -9.117  -0.059  -2.068  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1       -1.262  -1.044   0.955  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.135  -0.550   2.091  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -2.837  -1.490   2.864  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.653  -1.079   3.920  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.770   0.275   4.224  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.069   1.218   3.476  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.252   0.808   2.420  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 9