REMARK  Name = BDB013010
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.745  -0.094  -0.209  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.010  -1.284   0.029  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.355  -1.212  -0.105  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.811  -2.479   0.111  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.197  -3.266   0.418  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.028  -0.032  -0.432  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.349   1.059  -0.669  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.350  -2.511   0.364  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.026   1.000  -0.546  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.245  -0.186   2.409  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        3.919  -0.010   1.078  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        3.207   0.019  -0.112  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        3.984   0.174  -1.245  0.00  0.00    +0.123 A 
ATOM     14  N   LIG    1        5.326   0.307  -1.239  0.00  0.00    -0.239 NA
ATOM     15  C   LIG    1        5.939   0.266  -0.041  0.00  0.00    +0.132 A 
ATOM     16  N   LIG    1        5.268   0.122   1.121  0.00  0.00    -0.236 NA
BRANCH  15  17
ATOM     17  C   LIG    1        7.439   0.410   0.006  0.00  0.00    +0.057 C 
ATOM     18  C   LIG    1        8.280  -0.605   0.751  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1        8.319  -0.563  -0.748  0.00  0.00    +0.012 C 
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -2.400  -0.010  -0.533  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.663   0.841  -1.029  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.203  -0.092   0.684  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.652  -0.211   0.318  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.453   0.891   0.037  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -5.122   2.336  -0.011  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.535   2.915  -0.084  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.430   1.907  -0.605  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.781   0.729  -0.342  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.369  -0.515  -0.463  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.586  -1.633  -0.180  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.248  -1.475   0.202  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.521  -2.574   0.455  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5