REMARK  Name = BDB021201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.296   0.217   0.177  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.747  -0.362   1.360  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.553   0.161   1.820  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.263  -0.478   3.003  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.262  -1.409   3.163  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.130   1.192   1.151  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.393   1.735   0.085  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.177  -1.336   2.142  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.584   1.221  -0.382  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        5.389  -3.407  -1.375  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.041  -1.962  -1.204  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1        5.932  -1.047  -1.643  0.00  0.00    -0.155 NA
ATOM     13  N   LIG    1        5.673   0.280  -1.493  0.00  0.00    -0.157 NA
ATOM     14  C   LIG    1        4.519   0.665  -0.909  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1        3.555  -0.228  -0.463  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.844  -1.585  -0.611  0.00  0.00    +0.035 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1        1.405  -2.346   4.236  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1        1.488  -3.096   5.119  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1       -1.340   1.670   1.610  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.549   2.509   1.071  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.527   0.816   1.617  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.944   0.440   0.225  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -3.673   1.290  -0.602  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.154   2.674  -0.377  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.098   2.810  -1.571  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -4.705   1.865  -2.591  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -4.001   0.913  -1.899  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -3.624  -0.302  -2.435  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -2.897  -1.171  -1.624  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -2.566  -0.797  -0.315  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -1.851  -1.651   0.433  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5