REMARK  Name = BDB024216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.793  -1.387   0.248  0.00  0.00    +0.171 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.629  -2.893   0.049  0.00  0.00    -0.022 A 
ATOM      3  C   LIG    1       -2.072  -3.505  -1.135  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.909  -4.879  -1.324  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.309  -5.654  -0.334  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.876  -5.061   0.851  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.038  -3.689   1.044  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  10
ATOM      8  N   LIG    1        0.549  -1.061  -0.434  0.00  0.00    -0.269 N 
ATOM      9  H   LIG    1        0.340  -1.855  -1.022  0.00  0.00    +0.156 HD
ATOM     10  C   LIG    1       -0.412  -0.680   0.498  0.00  0.00    +0.240 C 
ATOM     11  O   LIG    1       -0.243   0.151   1.388  0.00  0.00    -0.273 OA
BRANCH   8  15
ATOM     12  C   LIG    1        4.416   0.461  -0.844  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        3.474   1.007   0.019  0.00  0.00    +0.121 A 
ATOM     14  N   LIG    1        2.211   0.539   0.177  0.00  0.00    -0.240 NA
ATOM     15  C   LIG    1        1.840  -0.530  -0.542  0.00  0.00    +0.125 A 
ATOM     16  C   LIG    1        2.707  -1.141  -1.443  0.00  0.00    +0.044 A 
ATOM     17  C   LIG    1        4.004  -0.641  -1.593  0.00  0.00    +0.013 A 
BRANCH  12  22
ATOM     18  C   LIG    1        8.695   2.806   0.086  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        7.645   2.043  -0.543  0.00  0.00    -0.274 N 
ATOM     20  N   LIG    1        7.840   1.535  -1.772  0.00  0.00    -0.179 NA
ATOM     21  C   LIG    1        6.693   0.903  -2.034  0.00  0.00    +0.143 A 
ATOM     22  C   LIG    1        5.756   1.002  -0.978  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        6.416   1.752  -0.024  0.00  0.00    +0.116 A 
ENDBRANCH  12  22
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   1  24
ATOM     24  N   LIG    1       -2.767  -1.157   1.337  0.00  0.00    -0.302 NA
ATOM     25  H   LIG    1       -3.525  -1.833   1.255  0.00  0.00    +0.123 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.326   0.199   1.369  0.00  0.00    +0.086 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.398   0.447   0.294  0.00  0.00    +0.050 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.031   1.812   0.427  0.00  0.00    -0.046 A 
ATOM     29  C   LIG    1       -4.348   2.955  -0.019  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1       -4.928   4.218   0.112  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -6.185   4.339   0.690  0.00  0.00    +0.123 A 
ATOM     32  F   LIG    1       -6.741   5.551   0.815  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -6.874   3.220   1.143  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1       -6.297   1.956   1.014  0.00  0.00    +0.006 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8