REMARK  Name = BDB013143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.631  -0.711   0.054  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1       -1.919  -0.342  -1.119  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.556  -0.211  -1.010  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.115   0.082  -2.266  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.136   0.174  -3.088  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.139  -0.415   0.185  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.508  -0.797   1.252  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.278  -0.094  -2.364  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.881  -0.934   1.157  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -4.935  -0.274   1.033  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1       -4.096  -0.913   0.111  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -4.710  -1.767  -0.816  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -6.087  -1.965  -0.781  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1       -6.820  -1.298   0.183  0.00  0.00    +0.114 A 
ATOM     15  N   LIG    1       -6.277  -0.460   1.091  0.00  0.00    -0.221 NA
BRANCH  10  17
ATOM     16  C   LIG    1       -5.290   1.244   2.788  0.00  0.00    +0.279 C 
ATOM     17  O   LIG    1       -4.353   0.604   1.929  0.00  0.00    -0.479 OA
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   6  18
ATOM     18  N   LIG    1        1.506  -0.248   0.250  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        1.808  -0.646   1.141  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.061   1.103   0.169  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.547   1.061   0.378  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.412   0.392  -0.485  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.124  -0.433  -1.683  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.541  -0.567  -2.242  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.491  -0.352  -1.174  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        5.782   0.365  -0.247  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.355   0.992   0.841  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.511   1.681   1.710  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.130   1.712   1.474  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.353   2.383   2.336  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5