REMARK  Name = BDB019072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.254   0.175  -0.147  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1       -1.669  -0.985  -0.714  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.329  -1.189  -0.470  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.001  -2.385  -1.054  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -1.021  -2.915  -1.696  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        0.455  -0.294   0.278  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.093   0.766   0.813  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -2.068  -2.052  -1.484  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1       -1.441   0.972   0.581  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -7.751   1.684  -0.724  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -6.308   1.301  -0.591  0.00  0.00    +0.039 A 
ATOM     12  N   LIG    1       -5.970   0.509   0.454  0.00  0.00    -0.256 NA
ATOM     13  C   LIG    1       -4.668   0.143   0.595  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -4.365  -0.744   1.769  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1       -3.669   0.559  -0.293  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -4.045   1.376  -1.364  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -5.377   1.752  -1.517  0.00  0.00    +0.023 A 
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  N   LIG    1        1.797  -0.528   0.473  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        2.101   0.076   1.236  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.712  -0.341  -0.649  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.106  -0.690  -0.222  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.938   0.205   0.444  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.686   1.594   0.900  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        6.115   2.003   1.258  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.894   0.814   1.517  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        6.208  -0.174   0.860  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.708  -1.443   0.644  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.895  -2.356  -0.027  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.613  -1.977  -0.449  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.856  -2.884  -1.083  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4