REMARK  Name = BDB054876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.433   0.223   0.415  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.062   1.159  -0.555  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -0.267   1.257  -0.984  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.253   0.421  -0.449  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -0.880  -0.518   0.511  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.452  -0.615   0.942  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.566   0.574  -0.940  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -2.702   1.312  -1.613  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1       -3.722  -0.031  -0.465  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1       -4.796   0.283  -1.288  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -4.560   0.654  -2.195  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1       -3.787  -0.738   0.532  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1       -6.154  -0.044  -1.089  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -7.038   0.225  -2.140  0.00  0.00    +0.061 A 
ATOM     15  C   LIG    1       -8.393  -0.066  -2.003  0.00  0.00    +0.125 A 
ATOM     16  F   LIG    1       -9.225   0.195  -3.020  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -8.896  -0.618  -0.833  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -8.026  -0.881   0.221  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -6.661  -0.593   0.093  0.00  0.00    +0.023 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     20  C   LIG    1        3.396  -0.621   1.727  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1        2.792   0.188   0.785  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        3.394   0.855   0.315  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        2.826  -1.437   2.440  0.00  0.00    -0.270 OA
BRANCH  20  31
ATOM     24  C   LIG    1        5.764   0.232  -0.486  0.00  0.00    +0.144 A 
ATOM     25  C   LIG    1        5.786  -0.032   0.918  0.00  0.00    +0.117 A 
ATOM     26  N   LIG    1        6.997   0.088   1.541  0.00  0.00    -0.234 N 
ATOM     27  C   LIG    1        6.882  -0.269   2.853  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1        5.567  -0.598   3.086  0.00  0.00    +0.035 A 
ATOM     29  N   LIG    1        8.130   0.494   0.947  0.00  0.00    -0.155 NA
ATOM     30  C   LIG    1        7.998   0.752  -0.315  0.00  0.00    +0.245 A 
ATOM     31  C   LIG    1        4.840  -0.407   1.868  0.00  0.00    +0.067 A 
ATOM     32  N   LIG    1        6.856   0.626  -1.066  0.00  0.00    -0.217 NA
BRANCH  24  33
ATOM     33  N   LIG    1        4.662   0.089  -1.281  0.00  0.00    -0.341 N 
ATOM     34  H   LIG    1        4.926   0.091  -2.263  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1        4.086  -0.722  -1.064  0.00  0.00    +0.144 HD
ENDBRANCH  24  33
ENDBRANCH  20  31
ENDBRANCH   1  21
TORSDOF 5