REMARK  Name = BDB059902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.181  -0.620  -0.261  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1       -1.513   0.587  -0.089  0.00  0.00    +0.092 A 
ATOM      3  N   LIG    1       -0.168   0.263  -0.107  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.858   1.198   0.118  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        0.568   2.458   0.293  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -0.766   2.808   0.258  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.072  -1.068  -0.403  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1       -1.814   1.969   0.090  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1       -1.252  -1.636  -0.482  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.145   2.597   0.017  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -3.795   3.030   1.180  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -5.042   3.652   1.099  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.646   3.847  -0.142  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.005   3.421  -1.305  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.757   2.799  -1.227  0.00  0.00    +0.008 A 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  C   LIG    1       -3.623  -0.885  -0.227  0.00  0.00    +0.360 C 
ATOM     17  O   LIG    1       -4.461  -0.114   0.224  0.00  0.00    -0.243 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -3.930  -2.115  -0.740  0.00  0.00    -0.460 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -5.504  -3.815  -1.315  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1       -5.324  -2.435  -0.715  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   4  21
ATOM     21  N   LIG    1        2.177   0.803   0.141  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.745   1.646   0.058  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.662   0.048   1.293  0.00  0.00    +0.142 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.084  -0.373   1.050  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.364  -1.617   0.481  0.00  0.00    +0.132 A 
ATOM     26  F   LIG    1        3.357  -2.449   0.175  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        5.671  -2.029   0.223  0.00  0.00    +0.084 A 
ATOM     28  C   LIG    1        6.733  -1.183   0.531  0.00  0.00    +0.123 A 
ATOM     29  C   LIG    1        6.467   0.069   1.095  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        5.154   0.477   1.351  0.00  0.00    +0.011 A 
BRANCH  28  31
ATOM     31  O   LIG    1        8.059  -1.450   0.335  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1        8.383  -2.706  -0.250  0.00  0.00    +0.277 C 
ENDBRANCH  28  31
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 8