REMARK  Name = BDB021230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.734  -3.638   0.302  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        1.686  -2.679   0.058  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.107  -1.525   0.337  0.00  0.00    +0.152 A 
ATOM      4  N   LIG    1       -0.211  -1.713   0.712  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -1.069  -0.649   1.038  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.616   0.573   1.036  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        0.701   0.771   0.671  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        1.594  -0.181   0.314  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1       -0.444  -3.068   0.722  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.975   0.230  -0.061  0.00  0.00    +0.094 A 
ATOM     11  N   LIG    1        3.194   1.554  -0.274  0.00  0.00    -0.252 NA
ATOM     12  C   LIG    1        4.460   1.911  -0.616  0.00  0.00    +0.135 A 
ATOM     13  C   LIG    1        5.519   1.014  -0.751  0.00  0.00    +0.062 A 
ATOM     14  N   LIG    1        5.294  -0.305  -0.542  0.00  0.00    -0.256 NA
ATOM     15  C   LIG    1        4.027  -0.670  -0.201  0.00  0.00    +0.139 A 
BRANCH  13  16
ATOM     16  C   LIG    1        6.899   1.476  -1.146  0.00  0.00    +0.039 C 
ATOM     17  C   LIG    1        7.705   2.349  -0.211  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        8.112   0.924  -0.432  0.00  0.00    +0.010 C 
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  20
ATOM     19  N   LIG    1        1.196  -6.171  -0.000  0.00  0.00    -0.189 NA
ATOM     20  C   LIG    1        1.008  -5.033   0.132  0.00  0.00    +0.121 C 
ENDBRANCH   1  20
BRANCH   5  21
ATOM     21  N   LIG    1       -2.385  -0.875   1.373  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.763  -0.008   1.754  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.304  -1.422   0.377  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.621  -0.702   0.414  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.771   0.603  -0.050  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.767   1.552  -0.590  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -4.709   2.617  -1.153  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -5.979   2.530  -0.466  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.000   1.248   0.017  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.124   0.643   0.543  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.999  -0.667   1.006  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.763  -1.323   0.937  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.683  -2.581   1.394  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 6