REMARK  Name = BDB013196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.615  -0.025  -0.229  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.944   0.461  -1.391  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.585   0.268  -1.465  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.196   0.844  -2.639  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.241   1.333  -3.265  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.161  -0.386  -0.475  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.454  -0.828   0.588  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.345   1.094  -2.477  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.820  -0.644   0.675  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.292   0.703   2.517  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        4.777   0.403   1.146  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        4.033   0.103  -0.030  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.986  -0.032  -1.017  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1        6.190   0.169  -0.414  0.00  0.00    -0.274 N 
ATOM     15  C   LIG    1        7.488   0.144  -1.041  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1        6.096   0.414   0.904  0.00  0.00    -0.176 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.521  -0.536  -0.649  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.875  -0.537  -1.599  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.297  -1.389   0.236  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.760  -1.163  -0.012  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.412  -0.003   0.395  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -3.879   1.207   1.067  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.199   1.880   1.446  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.244   1.395   0.572  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.760   0.195   0.122  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.517  -0.735  -0.562  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.887  -1.909  -0.975  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.527  -2.111  -0.700  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.952  -3.243  -1.132  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4