REMARK  Name = BDB014949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.973   4.037  -0.913  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.485   3.861  -0.748  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.024   2.597  -0.405  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.572   2.490  -0.160  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.139   1.067  -0.163  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.846   0.486  -0.096  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.933  -0.848  -0.110  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.246  -1.125  -0.204  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.011   0.001  -0.213  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.485   0.120  -0.289  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.890   1.540   0.164  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.727   4.815  -0.926  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.706  -2.503  -0.276  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -2.809  -3.139   1.107  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -1.870  -4.227   1.170  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -0.966  -4.075   0.069  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -1.784  -3.444  -1.034  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.278   1.238  -0.028  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        0.185   2.249  -0.074  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.644   0.883   0.071  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.603   1.909   0.077  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.190   3.185  -0.009  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        3.973   1.659   0.169  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        4.437   0.344   0.262  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        3.490  -0.692   0.259  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        2.115  -0.426   0.165  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.866   0.046   0.360  0.00  0.00    +0.113 A 
ATOM     28  N   LIG    1        6.341  -1.210   0.445  0.00  0.00    -0.152 NA
ATOM     29  N   LIG    1        7.669  -1.014   0.523  0.00  0.00    -0.186 N 
ATOM     30  C   LIG    1        8.581  -2.127   0.603  0.00  0.00    +0.197 C 
ATOM     31  N   LIG    1        8.121   0.252   0.481  0.00  0.00    -0.160 NA
ATOM     32  C   LIG    1        6.974   0.930   0.383  0.00  0.00    +0.164 A 
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4