REMARK  Name = BDB001513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.848  -1.631   2.602  0.00  0.00    -0.297 N 
ATOM      2  H   LIG    1        0.761  -2.530   3.065  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.194  -1.405   2.215  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        3.194  -1.821   3.076  0.00  0.00    +0.181 A 
ATOM      5  F   LIG    1        2.921  -2.461   4.222  0.00  0.00    -0.200 F 
ATOM      6  C   LIG    1        4.484  -1.565   2.699  0.00  0.00    +0.156 A 
ATOM      7  N   LIG    1        4.805  -0.940   1.550  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        3.791  -0.559   0.758  0.00  0.00    +0.221 A 
ATOM      9  N   LIG    1        2.497  -0.769   1.063  0.00  0.00    -0.196 NA
BRANCH   8  10
ATOM     10  N   LIG    1        4.003   0.087  -0.455  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        3.110   0.253  -0.896  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1        5.140   0.499  -1.158  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        4.967   1.114  -2.410  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        6.060   1.550  -3.164  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        7.344   1.377  -2.672  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1        7.550   0.775  -1.438  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        6.449   0.340  -0.689  0.00  0.00    +0.027 A 
BRANCH  15  18
ATOM     18  O   LIG    1        8.384   1.816  -3.434  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1        9.212   1.626  -2.963  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   1   3
BRANCH   1  23
ATOM     20  C   LIG    1       -2.844  -0.381   0.916  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -2.764  -1.508   1.730  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -1.534  -1.907   2.272  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -0.351  -1.208   1.996  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1       -0.447  -0.066   1.198  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -1.674   0.339   0.656  0.00  0.00    +0.025 A 
BRANCH  20  28
ATOM     26  O   LIG    1       -5.651  -1.322   1.255  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1       -5.313  -0.417   0.501  0.00  0.00    +0.248 C 
ATOM     28  N   LIG    1       -4.036   0.086   0.326  0.00  0.00    -0.282 N 
ATOM     29  H   LIG    1       -3.947   0.924  -0.234  0.00  0.00    +0.155 HD
BRANCH  27  30
ATOM     30  C   LIG    1       -6.368   0.266  -0.299  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1       -7.636   0.433   0.270  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1       -8.648   1.069  -0.450  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -8.400   1.530  -1.742  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -7.144   1.349  -2.322  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -6.127   0.714  -1.606  0.00  0.00    +0.013 A 
ENDBRANCH  27  30
ENDBRANCH  20  28
ENDBRANCH   1  23
TORSDOF 7