REMARK  Name = BDB014721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.210  -0.435  -1.581  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -1.331  -0.351  -0.746  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -2.636  -0.494  -1.248  0.00  0.00    -0.013 A 
ATOM      4  C   LIG    1       -2.821  -0.737  -2.611  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -1.720  -0.831  -3.459  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.429  -0.684  -2.947  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.779  -0.402  -0.356  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -5.010   0.316  -0.453  0.00  0.00    +0.138 A 
ATOM      9  N   LIG    1       -5.791   0.078   0.622  0.00  0.00    -0.170 NA
ATOM     10  N   LIG    1       -5.065  -0.759   1.381  0.00  0.00    -0.273 N 
ATOM     11  C   LIG    1       -5.605  -1.229   2.634  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.856  -1.074   0.845  0.00  0.00    +0.117 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.446   1.236  -1.567  0.00  0.00    +0.290 C 
ATOM     14  F   LIG    1       -5.824   0.512  -2.665  0.00  0.00    -0.199 F 
ATOM     15  F   LIG    1       -4.408   2.019  -1.990  0.00  0.00    -0.199 F 
ATOM     16  C   LIG    1       -6.593   2.166  -1.211  0.00  0.00    +0.092 C 
ENDBRANCH   8  13
ENDBRANCH   3   7
BRANCH   1  17
ATOM     17  N   LIG    1        1.124  -0.321  -1.123  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1        1.768  -0.264  -1.901  0.00  0.00    +0.154 HD
BRANCH  17  24
ATOM     19  C   LIG    1        6.336   1.503  -1.918  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1        6.524   1.009  -0.505  0.00  0.00    +0.213 C 
ATOM     21  N   LIG    1        5.406   0.495   0.141  0.00  0.00    -0.297 N 
ATOM     22  C   LIG    1        4.164   0.155  -0.585  0.00  0.00    +0.148 C 
ATOM     23  C   LIG    1        3.027  -0.017   0.358  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1        1.640  -0.230   0.128  0.00  0.00    +0.150 A 
ATOM     25  N   LIG    1        0.989  -0.341   1.292  0.00  0.00    -0.156 NA
ATOM     26  N   LIG    1        1.923  -0.178   2.243  0.00  0.00    -0.269 N 
ATOM     27  C   LIG    1        1.528  -0.216   3.629  0.00  0.00    +0.172 C 
ATOM     28  C   LIG    1        3.167  -0.006   1.729  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1        4.448   0.183   2.450  0.00  0.00    +0.074 C 
ATOM     30  C   LIG    1        5.604  -0.114   1.474  0.00  0.00    +0.114 C 
ATOM     31  O   LIG    1        7.631   1.083   0.029  0.00  0.00    -0.276 OA
ENDBRANCH  17  24
ENDBRANCH   1  17
TORSDOF 4