REMARK  Name = BDB057095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.422  -1.194  -1.313  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.580  -0.554  -0.833  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.439   0.801  -0.622  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.818   1.266  -1.265  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.630  -1.163  -0.638  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        3.796   0.750  -0.670  0.00  0.00    +0.216 C 
ATOM      7  N   LIG    1        2.625  -0.002  -0.586  0.00  0.00    -0.301 N 
ATOM      8  C   LIG    1        2.428  -1.108  -1.514  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1        1.023  -1.102  -2.120  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -0.054  -0.632  -1.121  0.00  0.00    +0.081 C 
ATOM     11  C   LIG    1        0.433  -0.757   0.331  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1        1.687   0.091   0.533  0.00  0.00    +0.109 C 
ATOM     13  O   LIG    1        4.621   0.576  -1.567  0.00  0.00    -0.276 OA
BRANCH   6  14
ATOM     14  C   LIG    1        3.984   1.831   0.389  0.00  0.00    +0.096 C 
BRANCH  14  16
ATOM     15  C   LIG    1        6.486   1.709   0.805  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        5.327   2.556   0.297  0.00  0.00    +0.006 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1  10
BRANCH   3  17
ATOM     17  C   LIG    1       -3.325   1.644   0.081  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -3.173   3.026  -0.086  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -3.997   3.935   0.602  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1       -4.989   3.439   1.458  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -5.137   2.065   1.637  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.305   1.172   0.956  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.836   5.419   0.388  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1       -4.262   6.166   1.444  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -4.530   5.866  -0.694  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -2.539   5.784   0.175  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1       -1.585  -2.620  -1.648  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.096  -3.579  -0.587  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -1.732  -3.650   0.662  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -1.279  -4.533   1.643  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -0.190  -5.362   1.386  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.443  -5.314   0.146  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.009  -4.432  -0.837  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 7