REMARK  Name = BDB019173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.326   0.509  -1.381  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.553  -0.813  -1.392  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.808  -0.372  -1.892  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -0.966   1.037  -1.325  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.376   1.578  -1.181  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.674   1.094   0.054  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1       -3.162   0.752   0.030  0.00  0.00    -0.007 A 
ATOM      8  C   LIG    1       -3.742   0.009   1.084  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -5.115  -0.286   1.065  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -5.923   0.171   0.028  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.368   0.931  -0.995  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.901  -0.501   2.233  0.00  0.00    +0.297 C 
ATOM     13  F   LIG    1       -2.698  -1.848   2.147  0.00  0.00    -0.198 F 
ATOM     14  F   LIG    1       -3.499  -0.300   3.445  0.00  0.00    -0.198 F 
ATOM     15  C   LIG    1       -1.539   0.196   2.260  0.00  0.00    +0.241 C 
ATOM     16  C   LIG    1       -4.002   1.226  -0.992  0.00  0.00    +0.007 A 
ATOM     17  O   LIG    1       -0.945   0.238   0.957  0.00  0.00    -0.363 OA
ENDBRANCH   4   6
BRANCH   1  22
ATOM     18  C   LIG    1        5.354  -0.732   1.028  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1        4.205   0.038   0.804  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1        3.577   1.154   1.423  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        2.440   1.449   0.701  0.00  0.00    +0.091 A 
ATOM     22  N   LIG    1        2.353   0.555  -0.342  0.00  0.00    -0.303 N 
ATOM     23  C   LIG    1        3.422  -0.311  -0.288  0.00  0.00    +0.148 A 
ATOM     24  N   LIG    1        3.652  -1.323  -1.146  0.00  0.00    -0.218 NA
ATOM     25  C   LIG    1        4.786  -1.980  -0.833  0.00  0.00    +0.225 A 
ATOM     26  N   LIG    1        5.629  -1.751   0.191  0.00  0.00    -0.220 NA
BRANCH  18  27
ATOM     27  N   LIG    1        6.231  -0.518   2.082  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        6.820  -1.329   2.231  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        5.818  -0.101   2.904  0.00  0.00    +0.144 HD
ENDBRANCH  18  27
ENDBRANCH   1  22
BRANCH   2  30
ATOM     30  O   LIG    1        1.100  -1.801  -2.276  0.00  0.00    -0.385 OA
ATOM     31  H   LIG    1        2.038  -1.914  -2.002  0.00  0.00    +0.210 HD
ENDBRANCH   2  30
BRANCH   3  32
ATOM     32  O   LIG    1       -0.772  -0.306  -3.330  0.00  0.00    -0.386 OA
ATOM     33  H   LIG    1       -0.267  -1.101  -3.603  0.00  0.00    +0.210 HD
ENDBRANCH   3  32
TORSDOF 5