REMARK  Name = BDB058196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.314  -0.129   0.547  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1        0.548  -1.225   0.613  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.763  -0.999   0.617  0.00  0.00    +0.130 A 
ATOM      4  N   LIG    1       -1.751  -2.014   0.714  0.00  0.00    -0.311 N 
ATOM      5  C   LIG    1       -3.019  -1.336   0.373  0.00  0.00    +0.079 C 
ATOM      6  C   LIG    1       -2.797   0.180   0.571  0.00  0.00    +0.064 C 
ATOM      7  C   LIG    1       -3.437  -1.699  -1.058  0.00  0.00    +0.023 C 
ATOM      8  C   LIG    1       -3.588  -3.216  -1.229  0.00  0.00    +0.003 C 
ATOM      9  C   LIG    1       -2.655  -4.025  -0.321  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -1.387  -3.248   0.021  0.00  0.00    +0.107 C 
ATOM     11  C   LIG    1       -1.315   0.260   0.529  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -0.469   1.338   0.473  0.00  0.00    +0.130 A 
ATOM     13  N   LIG    1        0.862   1.144   0.494  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        5.531  -0.533   0.755  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1        4.927   0.495   1.360  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1        3.577   0.576   1.249  0.00  0.00    +0.125 A 
ATOM     17  C   LIG    1        2.766  -0.324   0.556  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        3.431  -1.385  -0.087  0.00  0.00    +0.070 A 
ATOM     19  C   LIG    1        4.831  -1.486   0.037  0.00  0.00    +0.056 A 
BRANCH  18  20
ATOM     20  C   LIG    1        2.705  -2.413  -0.919  0.00  0.00    +0.418 C 
ATOM     21  F   LIG    1        3.555  -3.097  -1.747  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        1.772  -1.883  -1.759  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        2.085  -3.376  -0.186  0.00  0.00    -0.166 F 
ENDBRANCH  18  20
BRANCH  14  24
ATOM     24  N   LIG    1        6.909  -0.625   0.904  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1        7.206   0.194   1.430  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        7.385  -0.690   0.012  0.00  0.00    +0.144 HD
ENDBRANCH  14  24
ENDBRANCH   1  17
BRANCH  12  27
ATOM     27  N   LIG    1       -0.996   2.643   0.390  0.00  0.00    -0.310 N 
ATOM     28  C   LIG    1       -0.089   3.657   0.979  0.00  0.00    +0.134 C 
ATOM     29  C   LIG    1       -0.748   5.042   0.875  0.00  0.00    +0.178 C 
ATOM     30  O   LIG    1       -1.040   5.379  -0.492  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1       -1.916   4.398  -1.073  0.00  0.00    +0.178 C 
ATOM     32  C   LIG    1       -1.303   2.988  -1.019  0.00  0.00    +0.134 C 
ENDBRANCH  12  27
TORSDOF 4