REMARK  Name = BDB014918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.613   0.967  -0.114  0.00  0.00    +0.150 A 
ATOM      2  C   LIG    1       -1.605   1.968  -0.282  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -1.490   3.405  -0.645  0.00  0.00    +0.149 C 
ATOM      4  N   LIG    1       -2.819   4.020  -0.828  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1       -3.932   3.519   0.009  0.00  0.00    +0.116 C 
ATOM      6  C   LIG    1       -4.129   1.991  -0.089  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -2.848   5.179  -1.564  0.00  0.00    +0.300 C 
ATOM      8  O   LIG    1       -1.898   5.620  -2.201  0.00  0.00    -0.253 OA
ATOM      9  N   LIG    1       -4.018   5.863  -1.577  0.00  0.00    -0.313 N 
ATOM     10  H   LIG    1       -4.474   5.985  -0.687  0.00  0.00    +0.146 HD
ATOM     11  H   LIG    1       -3.930   6.732  -2.091  0.00  0.00    +0.146 HD
ATOM     12  C   LIG    1       -2.803   1.337  -0.022  0.00  0.00    +0.048 A 
ATOM     13  N   LIG    1       -2.503   0.039   0.250  0.00  0.00    -0.263 N 
ATOM     14  N   LIG    1       -1.178  -0.199   0.221  0.00  0.00    -0.155 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -3.420  -1.058   0.530  0.00  0.00    +0.112 C 
ATOM     16  C   LIG    1       -3.084  -1.777   1.838  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -4.109  -2.871   2.121  0.00  0.00    +0.162 C 
ATOM     18  O   LIG    1       -4.766  -3.339   0.942  0.00  0.00    -0.380 OA
ATOM     19  C   LIG    1       -3.881  -3.442  -0.169  0.00  0.00    +0.162 C 
ATOM     20  C   LIG    1       -3.490  -2.048  -0.641  0.00  0.00    +0.055 C 
ENDBRANCH  13  15
BRANCH   1  21
ATOM     21  N   LIG    1        0.705   1.225  -0.284  0.00  0.00    -0.296 N 
ATOM     22  H   LIG    1        0.979   2.158  -0.578  0.00  0.00    +0.154 HD
BRANCH  21  27
ATOM     23  C   LIG    1        4.251  -1.112   0.037  0.00  0.00    -0.012 A 
ATOM     24  C   LIG    1        4.293   0.237  -0.324  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        3.109   0.968  -0.419  0.00  0.00    +0.145 A 
ATOM     26  F   LIG    1        3.182   2.265  -0.765  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1        1.849   0.402  -0.166  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        1.820  -0.944   0.199  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1        3.003  -1.692   0.299  0.00  0.00    +0.010 A 
BRANCH  23  34
ATOM     30  C   LIG    1        8.870  -2.824  -0.606  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        7.513  -2.645  -0.153  0.00  0.00    -0.274 N 
ATOM     32  N   LIG    1        6.996  -3.503   0.744  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        5.752  -3.052   0.925  0.00  0.00    +0.142 A 
ATOM     34  C   LIG    1        5.465  -1.902   0.151  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        6.638  -1.670  -0.539  0.00  0.00    +0.116 A 
ENDBRANCH  23  34
ENDBRANCH  21  27
ENDBRANCH   1  21
TORSDOF 4