REMARK  Name = BDB014794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.218  -0.476   0.167  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.542  -1.434   0.212  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.969  -1.914   0.403  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.469  -2.050   0.340  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.714  -0.897   0.514  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.251  -1.091   0.539  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.541   0.204   0.374  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.160   0.500   0.211  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -0.976   1.823   0.120  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.204   2.360   0.198  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.348   3.792   0.103  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.175   1.428   0.375  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.635   1.625   0.517  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.248   0.343   1.121  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -4.957  -3.150   0.131  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.188  -0.422   0.038  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.919   0.765  -0.040  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.316   0.754  -0.165  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        4.032  -0.450  -0.216  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        3.301  -1.642  -0.138  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.906  -1.627  -0.012  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.498  -0.460  -0.346  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1        6.308   0.275   0.533  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        7.693   0.256   0.400  0.00  0.00    +0.124 A 
ATOM     25  F   LIG    1        8.447   0.963   1.253  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        8.309  -0.485  -0.601  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        7.525  -1.221  -1.485  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.132  -1.207  -1.357  0.00  0.00    +0.009 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3