REMARK  Name = BDB013004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.803   0.460  -0.234  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        2.253   0.314   1.065  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.933  -0.056   1.146  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.648  -0.099   2.480  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.723   0.202   3.175  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.127  -0.296   0.023  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.639  -0.139  -1.169  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.738   0.463   2.281  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.963   0.242  -1.268  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.896  -1.475  -1.195  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        5.176  -0.015  -0.980  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.190   0.869  -0.515  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        4.557   2.205  -0.310  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        5.857   2.620  -0.582  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        6.754   1.683  -1.056  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        6.444   0.385  -1.264  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.184  -0.682   0.211  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.414  -1.149   1.081  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.989  -1.154  -0.904  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.423  -1.257  -0.472  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.221  -0.135  -0.269  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -3.885   1.307  -0.369  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.296   1.893  -0.309  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.175   0.941   0.334  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.535  -0.258   0.164  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.114  -1.485   0.418  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.337  -2.625   0.215  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.011  -2.503  -0.222  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.288  -3.621  -0.384  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4