REMARK  Name = BDB056618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.539  -1.465   0.322  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -1.258  -2.262  -0.479  0.00  0.00    -0.197 NA
ATOM      3  C   LIG    1       -0.740  -2.360  -1.707  0.00  0.00    +0.145 A 
ATOM      4  C   LIG    1        0.404  -1.744  -2.181  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1        0.547  -2.146  -3.542  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.505  -2.986  -3.844  0.00  0.00    +0.085 A 
ATOM      7  C   LIG    1        1.101  -0.927  -1.273  0.00  0.00    +0.138 A 
ATOM      8  N   LIG    1       -1.277  -3.108  -2.717  0.00  0.00    -0.346 N 
ATOM      9  H   LIG    1       -2.119  -3.658  -2.621  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1        0.588  -0.819  -0.017  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -0.953  -1.255   1.638  0.00  0.00    -0.304 N 
ATOM     12  H   LIG    1       -0.409  -0.441   1.925  0.00  0.00    +0.150 HD
BRANCH  11  14
ATOM     13  C   LIG    1       -2.776  -1.080   3.232  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.395  -0.991   1.753  0.00  0.00    +0.138 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.772   0.398   1.225  0.00  0.00    +0.149 A 
ATOM     16  N   LIG    1       -3.918   0.521   0.517  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1       -4.205   1.756   0.049  0.00  0.00    +0.152 A 
ATOM     18  C   LIG    1       -3.408   2.852   0.270  0.00  0.00    +0.159 A 
ATOM     19  F   LIG    1       -3.722   4.061  -0.208  0.00  0.00    -0.202 F 
ATOM     20  C   LIG    1       -2.276   2.636   1.014  0.00  0.00    +0.152 A 
ATOM     21  N   LIG    1       -1.936   1.429   1.515  0.00  0.00    -0.236 NA
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   7  22
ATOM     22  N   LIG    1        2.269  -0.253  -1.655  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1        2.532  -0.418  -2.617  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.087   0.555  -0.969  0.00  0.00    +0.142 A 
ATOM     25  N   LIG    1        4.173   1.093  -1.605  0.00  0.00    -0.221 NA
ATOM     26  C   LIG    1        4.777   1.821  -0.692  0.00  0.00    +0.201 A 
ATOM     27  N   LIG    1        4.117   1.769   0.502  0.00  0.00    -0.338 N 
ATOM     28  C   LIG    1        4.508   2.441   1.712  0.00  0.00    +0.150 C 
ATOM     29  C   LIG    1        3.028   0.963   0.340  0.00  0.00    +0.130 A 
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 5