REMARK  Name = BDB023019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.776  -0.189  -0.063  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.095   1.039  -0.324  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.246   1.092  -0.033  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.634   2.369  -0.312  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.384   3.047  -0.795  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.961   0.007   0.480  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.338  -1.107   0.754  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.476   2.207  -0.805  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.015  -1.169   0.477  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        5.340  -0.002  -0.393  0.00  0.00    -0.268 N 
ATOM     11  N   LIG    1        5.195  -1.197  -0.995  0.00  0.00    -0.166 NA
ATOM     12  C   LIG    1        3.864  -1.424  -0.989  0.00  0.00    +0.173 A 
ATOM     13  C   LIG    1        3.178  -0.368  -0.318  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        4.161   0.528   0.039  0.00  0.00    +0.117 A 
BRANCH  12  15
ATOM     15  C   LIG    1        3.257  -2.643  -1.632  0.00  0.00    +0.437 C 
ATOM     16  F   LIG    1        2.126  -2.340  -2.330  0.00  0.00    -0.164 F 
ATOM     17  F   LIG    1        2.891  -3.569  -0.703  0.00  0.00    -0.164 F 
ATOM     18  F   LIG    1        4.086  -3.275  -2.505  0.00  0.00    -0.164 F 
ENDBRANCH  12  15
BRANCH  10  20
ATOM     19  C   LIG    1        7.075   0.751   1.197  0.00  0.00    +0.032 C 
ATOM     20  C   LIG    1        6.672   0.584  -0.267  0.00  0.00    +0.101 C 
ATOM     21  C   LIG    1        6.778   1.903  -1.031  0.00  0.00    +0.032 C 
ENDBRANCH  10  20
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -2.311   0.106   0.726  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.574  -0.677   1.323  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.235   0.144  -0.404  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.629   0.371   0.099  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.450  -0.663   0.538  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.188  -2.119   0.650  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.612  -2.611   0.910  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.395  -1.522   1.449  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.719  -0.402   1.040  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.227   0.878   1.135  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.424   1.930   0.696  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.144   1.671   0.189  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.393   2.708  -0.214  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6