REMARK  Name = BDB014946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.626  -4.285   0.167  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.112  -2.856   0.175  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.148  -1.858   0.087  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.756  -2.146  -0.312  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.862  -0.999  -0.002  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.453  -0.863  -0.106  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.074   0.362   0.273  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.206   1.000   0.632  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.310   0.220   0.462  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.736   0.540   0.729  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.617  -0.463  -0.042  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.316  -2.617   0.269  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.096   2.369   1.103  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -1.808   2.631   2.424  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -2.883   3.539   2.139  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -2.461   4.325   1.021  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -1.678   3.385   0.132  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.337  -1.871  -0.544  0.00  0.00    -0.295 N 
ATOM     19  H   LIG    1       -0.103  -2.745  -0.815  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.741  -1.968  -0.713  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1        2.266  -3.164  -1.224  0.00  0.00    +0.179 A 
ATOM     22  F   LIG    1        1.425  -4.167  -1.528  0.00  0.00    -0.201 F 
ATOM     23  C   LIG    1        3.631  -3.329  -1.417  0.00  0.00    +0.161 A 
ATOM     24  F   LIG    1        4.105  -4.483  -1.908  0.00  0.00    -0.202 F 
ATOM     25  C   LIG    1        4.519  -2.306  -1.110  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1        4.035  -1.095  -0.602  0.00  0.00    -0.010 A 
ATOM     27  C   LIG    1        2.647  -0.943  -0.406  0.00  0.00    +0.035 A 
BRANCH  26  28
ATOM     28  C   LIG    1        4.962  -0.022  -0.280  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        4.657   1.324  -0.288  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1        5.802   1.982   0.054  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        5.982   3.408   0.178  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        6.843   1.162   0.282  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.331  -0.054   0.078  0.00  0.00    +0.142 A 
ENDBRANCH  26  28
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4