REMARK  Name = BDB041297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.539  -0.175   0.085  0.00  0.00    +0.010 A 
ATOM      2  C   LIG    1        2.010   0.146  -1.186  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        0.631   0.391  -1.317  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        0.168   0.743  -2.587  0.00  0.00    +0.146 A 
ATOM      5  N   LIG    1        0.953   0.822  -3.684  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1        2.272   0.565  -3.566  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1       -0.195   0.286  -0.176  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1        0.310  -0.012   1.038  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        2.776   0.247  -2.353  0.00  0.00    +0.144 A 
ATOM     10  C   LIG    1        1.639  -0.230   1.144  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        7.148   1.440   1.147  0.00  0.00    +0.065 C 
ATOM     12  C   LIG    1        6.187   0.332   0.835  0.00  0.00    +0.039 A 
ATOM     13  N   LIG    1        6.684  -0.924   0.777  0.00  0.00    -0.260 NA
ATOM     14  C   LIG    1        5.824  -1.924   0.497  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        4.472  -1.734   0.267  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        3.962  -0.435   0.324  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        4.841   0.614   0.617  0.00  0.00    +0.031 A 
ENDBRANCH   1  16
BRANCH   7  18
ATOM     18  N   LIG    1       -1.580   0.502  -0.297  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1       -1.964  -0.144  -0.979  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.321   0.454   0.960  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.786   0.630   0.672  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.605  -0.430   0.290  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.305  -1.877   0.168  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.571  -2.335  -0.555  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.627  -1.379  -0.309  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.956  -0.233   0.030  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.553   1.007   0.129  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.750   2.086   0.493  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.386   1.894   0.757  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.652   2.958   1.114  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   7  18
TORSDOF 4