REMARK  Name = BDB021250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.490   0.498  -0.180  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        0.699  -0.665  -0.438  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.674  -0.502  -0.438  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.228  -1.716  -0.770  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.161  -2.572  -0.908  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.295   0.731  -0.173  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.570   1.794   0.040  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.026  -1.920  -0.694  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.802   1.643   0.036  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.514   2.276  -1.980  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        3.821   1.263  -0.939  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        2.925   0.485  -0.161  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        3.730  -0.310   0.637  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        3.394  -1.323   1.671  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1        5.021   0.003   0.278  0.00  0.00    -0.265 N 
ATOM     16  N   LIG    1        5.094   0.989  -0.639  0.00  0.00    -0.175 NA
BRANCH  15  17
ATOM     17  C   LIG    1        6.261  -0.584   0.785  0.00  0.00    +0.101 C 
ATOM     18  C   LIG    1        7.157  -1.089  -0.347  0.00  0.00    +0.032 C 
ATOM     19  C   LIG    1        7.004   0.401   1.687  0.00  0.00    +0.032 C 
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1       -0.208  -3.963  -1.240  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1       -0.292  -5.092  -1.504  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.669   0.843  -0.162  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.882   1.842  -0.167  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.421   0.244   0.941  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.875   0.602   0.828  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.663   0.230  -0.258  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.302  -0.487  -1.505  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.703  -0.776  -2.043  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.633   0.169  -1.468  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.003   0.593  -0.328  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.621   1.330   0.661  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.857   1.701   1.767  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.506   1.335   1.842  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.805   1.713   2.921  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6