REMARK  Name = BDB061712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.101  -0.513   1.167  0.00  0.00    +0.073 A 
ATOM      2  N   LIG    1        0.113  -0.199   0.623  0.00  0.00    -0.249 NA
ATOM      3  C   LIG    1        0.959   0.593   1.309  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.627   1.110   2.564  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        1.557   1.933   3.189  0.00  0.00    +0.123 A 
ATOM      6  N   LIG    1        2.756   2.255   2.659  0.00  0.00    -0.239 NA
ATOM      7  C   LIG    1        3.075   1.731   1.459  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -0.618   0.785   3.120  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.190   0.918   0.765  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1       -1.491  -0.036   2.414  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -1.993  -1.415   0.303  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1       -2.821  -2.412   1.125  0.00  0.00    +0.048 C 
BRANCH  11  17
ATOM     13  C   LIG    1       -7.028  -0.113  -0.884  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -5.709  -0.112  -1.510  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1       -5.106  -1.450  -1.460  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -3.604  -1.414  -1.741  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1       -2.834  -0.563  -0.700  0.00  0.00    +0.029 C 
ATOM     18  C   LIG    1       -3.777   0.451  -0.019  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -4.845   0.953  -0.990  0.00  0.00    +0.084 C 
ENDBRANCH  11  17
BRANCH  11  20
ATOM     20  O   LIG    1       -1.107  -2.234  -0.496  0.00  0.00    -0.382 OA
ATOM     21  H   LIG    1       -0.247  -1.763  -0.487  0.00  0.00    +0.211 HD
ENDBRANCH  11  20
ENDBRANCH   1  11
BRANCH   7  22
ATOM     22  N   LIG    1        4.321   2.113   0.968  0.00  0.00    -0.297 N 
ATOM     23  H   LIG    1        4.723   2.804   1.599  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.268   1.521   0.113  0.00  0.00    +0.072 A 
ATOM     25  C   LIG    1        6.334   2.305  -0.351  0.00  0.00    +0.162 A 
ATOM     26  F   LIG    1        6.468   3.574   0.064  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        7.257   1.772  -1.236  0.00  0.00    +0.151 A 
ATOM     28  N   LIG    1        7.202   0.506  -1.703  0.00  0.00    -0.247 NA
ATOM     29  C   LIG    1        6.161  -0.248  -1.246  0.00  0.00    +0.127 A 
ATOM     30  C   LIG    1        5.188   0.211  -0.360  0.00  0.00    +0.059 A 
BRANCH  29  31
ATOM     31  C   LIG    1        6.094  -1.657  -1.749  0.00  0.00    +0.260 C 
ATOM     32  O   LIG    1        5.211  -2.436  -1.416  0.00  0.00    -0.269 OA
ATOM     33  N   LIG    1        7.091  -2.018  -2.613  0.00  0.00    -0.324 N 
ATOM     34  H   LIG    1        7.799  -1.341  -2.874  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1        7.103  -2.950  -3.001  0.00  0.00    +0.145 HD
ENDBRANCH  29  31
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 6