REMARK  Name = BDB021524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.520  -2.300  -1.528  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        2.938  -0.953  -1.630  0.00  0.00    -0.331 N 
ATOM      3  C   LIG    1        3.328  -0.092  -0.592  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        2.490   0.551   0.341  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1        3.042   1.366   1.355  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        4.413   1.590   1.445  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        5.265   1.008   0.513  0.00  0.00    -0.045 A 
ATOM      8  C   LIG    1        1.009   0.438   0.412  0.00  0.00    +0.249 C 
ATOM      9  O   LIG    1        0.483   0.300   1.518  0.00  0.00    -0.270 OA
ATOM     10  N   LIG    1        0.254   0.575  -0.748  0.00  0.00    -0.293 N 
ATOM     11  C   LIG    1        0.857   0.392  -2.063  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.715   0.182  -0.481  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        1.558  -0.963  -2.147  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        6.754   1.233   0.585  0.00  0.00    +0.044 C 
BRANCH  14  15
ATOM     15  C   LIG    1        7.438   0.158   1.424  0.00  0.00    +0.118 C 
BRANCH  15  16
ATOM     16  C   LIG    1        8.928   0.392   1.487  0.00  0.00    +0.390 C 
ATOM     17  F   LIG    1        9.214   1.588   2.044  0.00  0.00    -0.171 F 
ATOM     18  F   LIG    1        9.529  -0.561   2.231  0.00  0.00    -0.171 F 
ATOM     19  F   LIG    1        9.482   0.362   0.256  0.00  0.00    -0.171 F 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   7  14
BRANCH  10  20
ATOM     20  C   LIG    1       -1.207   0.470  -0.639  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.705  -0.985  -0.632  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.661  -1.510  -1.975  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -2.543  -1.293  -2.344  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.149  -1.142  -0.101  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.147  -0.667  -1.091  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.624   0.702  -0.794  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.611   0.812   0.348  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.368  -0.298   0.762  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.297  -0.160   1.802  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -7.491   1.078   2.413  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.756   2.184   1.994  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.137  -1.648   0.133  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -5.823   2.054   0.965  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.321  -1.561  -1.165  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 8