REMARK  Name = BDB041361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.587   0.444   0.557  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        2.103   1.310   1.646  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.040   0.590   2.510  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.131   0.058   1.781  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.221  -0.278   0.380  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.702  -0.670   0.169  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.505   0.701  -0.855  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.869  -0.486  -0.993  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.599  -0.535  -0.522  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.003  -1.734  -0.648  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.896   0.524   0.095  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.622   1.721   0.198  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.932   1.819  -0.273  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.706  -0.575  -2.408  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.351  -0.400  -1.964  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.721  -1.197  -1.907  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.911   0.765  -1.371  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.589   1.778  -1.253  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.269   0.993   1.837  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.557   0.401   1.313  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.280   1.041   0.307  0.00  0.00    +0.132 A 
ATOM     22  F   LIG    1       -2.813   2.188  -0.210  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.487   0.522  -0.189  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.197   1.277  -1.279  0.00  0.00    +0.118 C 
ATOM     25  C   LIG    1       -6.489   0.676  -1.777  0.00  0.00    +0.170 C 
ATOM     26  C   LIG    1       -6.980  -0.586  -1.188  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1       -6.263  -1.222  -0.180  0.00  0.00    +0.082 A 
ATOM     28  N   LIG    1       -6.697  -2.385   0.378  0.00  0.00    -0.254 NA
ATOM     29  C   LIG    1       -7.855  -2.915  -0.076  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -8.623  -2.342  -1.074  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -8.175  -1.154  -1.640  0.00  0.00    +0.015 A 
ATOM     32  O   LIG    1       -7.142   1.219  -2.667  0.00  0.00    -0.292 OA
ATOM     33  C   LIG    1       -5.001  -0.674   0.336  0.00  0.00    +0.007 A 
ATOM     34  C   LIG    1       -4.272  -1.314   1.356  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -3.071  -0.787   1.841  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4