REMARK  Name = BDB014812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.206  -0.469   0.016  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.501  -1.428  -0.117  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.897  -2.168   0.221  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.395  -2.244   0.131  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.698  -1.046   0.032  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.238  -1.170  -0.148  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.559   0.127   0.106  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.179   0.463   0.176  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.032   1.774   0.405  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.280   2.261   0.506  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.461   3.665   0.785  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.231   1.313   0.309  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.703   1.461   0.326  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.328   0.232  -0.369  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -4.828  -3.337   0.155  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.203  -0.371   0.047  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.900   0.819   0.264  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.302   0.852   0.274  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        4.062  -0.307   0.062  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        3.363  -1.502  -0.158  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.962  -1.532  -0.166  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.535  -0.270   0.058  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        6.267   0.344   1.090  0.00  0.00    +0.131 A 
ATOM     24  F   LIG    1        5.632   0.911   2.127  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        7.663   0.378   1.086  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1        8.365  -0.206   0.035  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        7.659  -0.815  -0.995  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1        8.329  -1.375  -2.009  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        6.266  -0.851  -0.993  0.00  0.00    +0.049 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3