REMARK  Name = BDB014938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.847  -3.866  -0.832  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.177  -2.401  -0.978  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.132  -1.498  -0.819  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.720  -1.921  -0.814  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.846  -0.851  -0.265  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.465  -0.860   0.035  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.086   0.318   0.529  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.185   1.102   0.506  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.276   0.429   0.036  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.683   0.879  -0.130  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.406  -0.075  -1.101  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.334  -2.053  -1.212  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.016   2.454   1.012  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -1.745   3.549   0.259  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -2.954   3.840   0.978  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -2.881   3.237   2.275  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -1.504   2.631   2.434  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.309  -1.960  -0.119  0.00  0.00    -0.293 N 
ATOM     19  H   LIG    1       -0.139  -2.870  -0.095  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.715  -2.090   0.022  0.00  0.00    +0.104 A 
ATOM     21  C   LIG    1        2.643  -1.083  -0.294  0.00  0.00    +0.155 A 
ATOM     22  F   LIG    1        2.218   0.031  -0.915  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        4.024  -1.250  -0.067  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        4.479  -2.461   0.478  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        3.578  -3.480   0.784  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        2.219  -3.285   0.555  0.00  0.00    +0.147 A 
ATOM     27  F   LIG    1        1.367  -4.277   0.858  0.00  0.00    -0.203 F 
BRANCH  23  28
ATOM     28  C   LIG    1        4.988  -0.212  -0.395  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        4.751   1.146  -0.330  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1        5.911   1.759  -0.701  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        6.148   3.178  -0.802  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        6.905   0.899  -0.986  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.340  -0.298  -0.802  0.00  0.00    +0.143 A 
ENDBRANCH  23  28
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4