REMARK  Name = BDB014691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.041   0.392   0.121  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.000  -0.616   0.040  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.030  -2.866  -0.382  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.552  -2.576  -0.325  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.165  -1.291   0.032  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.711  -1.077   0.168  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.388   0.374   0.194  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.141   1.056   0.182  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.334   2.378   0.239  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.667   2.545   0.263  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -3.204   3.883   0.298  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.342   1.367   0.261  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.803   1.137   0.294  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.062  -0.327   0.710  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -3.738  -3.459  -0.596  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.377   0.857   0.127  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        2.417  -0.087  -0.006  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        3.772   0.292  -0.007  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        4.089   1.645   0.123  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        3.071   2.580   0.253  0.00  0.00    +0.126 A 
ATOM     21  F   LIG    1        3.388   3.877   0.377  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        1.732   2.201   0.255  0.00  0.00    +0.061 A 
BRANCH  18  23
ATOM     23  C   LIG    1        4.811  -0.714  -0.150  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        6.082  -0.627   0.381  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        6.727  -1.778   0.029  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        8.081  -2.150   0.355  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        5.965  -2.618  -0.694  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        4.803  -1.969  -0.802  0.00  0.00    +0.142 A 
ENDBRANCH  18  23
ENDBRANCH   1  16
TORSDOF 3