REMARK  Name = BDB012725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.345  -0.703  -0.462  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1       -0.008  -0.970  -1.761  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -1.398  -0.857  -1.780  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -2.083  -1.073  -2.993  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -1.340  -1.392  -4.129  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        0.045  -1.500  -4.093  0.00  0.00    +0.040 A 
ATOM      7  F   LIG    1       -1.979  -1.601  -5.288  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -1.768  -0.521  -0.441  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1        0.745  -1.289  -2.901  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1       -0.694  -0.424   0.344  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -3.061  -0.320  -0.086  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -3.764  -0.444  -0.819  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -3.662  -0.094   1.175  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1       -5.018   0.288   1.286  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -5.597   0.518   2.543  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1       -4.801   0.395   3.664  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -3.499   0.074   3.609  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -2.964  -0.159   2.381  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -5.840   0.454   0.052  0.00  0.00    +0.258 C 
ATOM     20  N   LIG    1       -6.924   1.361   0.157  0.00  0.00    -0.219 N 
ATOM     21  H   LIG    1       -6.926   2.072   0.886  0.00  0.00    +0.167 HD
ATOM     22  O   LIG    1       -5.559  -0.165  -0.966  0.00  0.00    -0.269 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -7.560   1.562  -0.997  0.00  0.00    +0.173 C 
ATOM     24  N   LIG    1       -8.149   1.795  -1.965  0.00  0.00    -0.174 NA
ENDBRANCH  20  23
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  25
ATOM     25  C   LIG    1        1.688  -0.688   0.093  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.334   0.691  -0.025  0.00  0.00    +0.024 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.702   0.781   0.660  0.00  0.00    +0.017 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.771  -0.087  -0.023  0.00  0.00    +0.084 C 
BRANCH  28  30
ATOM     29  C   LIG    1        6.734   1.320   0.338  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        6.133   0.001   0.517  0.00  0.00    -0.308 NA
ATOM     31  C   LIG    1        6.227  -0.433   1.908  0.00  0.00    +0.104 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9