REMARK  Name = BDB015726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.920   0.338  -0.920  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        0.475   1.562  -1.238  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -0.763   1.886  -0.841  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.616   1.075  -0.199  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.164  -0.159   0.082  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.113  -0.567  -0.251  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.114  -1.035   0.811  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.221  -2.340   0.490  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.103  -3.193   1.138  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.151  -4.587   0.726  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.950  -2.758   2.156  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.745  -3.467   2.767  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.858  -1.316   2.496  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.993  -0.523   1.852  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     15  C   LIG    1        2.769   0.765  -2.373  0.00  0.00    +0.131 C 
ATOM     16  N   LIG    1        2.228  -0.068  -1.290  0.00  0.00    -0.314 N 
BRANCH  16  17
ATOM     17  C   LIG    1        3.102  -0.149  -0.104  0.00  0.00    +0.141 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.357  -0.948  -0.392  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1        5.622  -0.415  -0.104  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        6.777  -1.161  -0.347  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.680  -2.447  -0.875  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.429  -2.990  -1.160  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.273  -2.247  -0.917  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   3  24
ATOM     24  O   LIG    1       -1.178   3.161  -1.207  0.00  0.00    -0.421 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.233   3.680  -0.498  0.00  0.00    +0.167 A 
ATOM     26  C   LIG    1       -2.142   3.946   0.872  0.00  0.00    +0.168 A 
ATOM     27  F   LIG    1       -1.013   3.675   1.542  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -3.214   4.503   1.558  0.00  0.00    +0.080 A 
ATOM     29  C   LIG    1       -4.374   4.807   0.856  0.00  0.00    +0.126 A 
ATOM     30  F   LIG    1       -5.413   5.346   1.507  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -4.474   4.570  -0.513  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -3.395   4.010  -1.199  0.00  0.00    +0.052 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6