REMARK  Name = BDB004977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.824   0.319   0.397  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        1.224  -0.781  -0.288  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1        1.932  -2.001  -0.364  0.00  0.00    +0.092 A 
ATOM      4  N   LIG    1        1.395  -3.076  -0.982  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.179  -2.953  -1.520  0.00  0.00    +0.223 A 
ATOM      6  N   LIG    1       -0.567  -1.856  -1.515  0.00  0.00    -0.220 NA
ATOM      7  C   LIG    1        3.212  -2.071   0.228  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        3.771  -0.971   0.903  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -0.055  -0.773  -0.906  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.073   0.218   1.001  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        4.069  -3.301   0.202  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        5.150  -3.341   0.781  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        3.629  -4.390  -0.487  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.180  -5.236  -0.472  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        2.710  -4.393  -0.921  0.00  0.00    +0.145 HD
ENDBRANCH   7  11
BRANCH   9  16
ATOM     16  N   LIG    1       -0.774   0.424  -1.015  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.625   1.002  -0.190  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.176   0.372  -1.395  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.051   0.292  -0.165  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1       -3.477   1.462   0.480  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -4.254   1.377   1.630  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1       -4.653   2.501   2.239  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.619   0.145   2.160  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -4.196  -1.025   1.532  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.413  -0.951   0.377  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   9  16
BRANCH   1  26
ATOM     26  O   LIG    1        1.130   1.488   0.610  0.00  0.00    -0.490 OA
BRANCH  26  27
ATOM     27  C   LIG    1        1.578   2.531  -0.277  0.00  0.00    +0.244 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.995   3.866   0.209  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -0.469   3.843   0.292  0.00  0.00    -0.327 NA
ATOM     30  H   LIG    1       -0.793   4.731   0.677  0.00  0.00    +0.118 HD
ATOM     31  H   LIG    1       -0.735   3.133   0.977  0.00  0.00    +0.118 HD
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8