REMARK  Name = BDB053760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.009   3.478  -1.776  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1        0.734   2.718  -0.952  0.00  0.00    -0.210 NA
ATOM      3  C   LIG    1        0.065   1.745  -0.282  0.00  0.00    +0.109 A 
ATOM      4  C   LIG    1        0.569   0.827   0.670  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -0.496   0.030   1.071  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1       -1.655   0.501   0.453  0.00  0.00    -0.278 N 
ATOM      7  C   LIG    1       -1.304   1.517  -0.435  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -2.057   2.340  -1.289  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.369   3.332  -1.980  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        1.917   0.697   1.200  0.00  0.00    +0.254 C 
ATOM     11  N   LIG    1        2.987   0.608   0.312  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        4.335   0.511   0.872  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        5.421   0.846  -0.164  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        5.379   0.016  -1.381  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.751   0.560  -2.159  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.018  -0.446  -1.696  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.884   0.437  -1.141  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.096   0.645   2.417  0.00  0.00    -0.270 OA
ENDBRANCH   4  10
BRANCH   6  19
ATOM     19  C   LIG    1       -2.990   0.091   0.729  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.409  -0.048   2.057  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.719  -0.442   2.334  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.608  -0.697   1.291  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.191  -0.557  -0.033  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.884  -0.160  -0.318  0.00  0.00    +0.026 A 
ENDBRANCH   6  19
BRANCH   1  26
ATOM     25  C   LIG    1        1.961   4.692  -2.152  0.00  0.00    +0.279 C 
ATOM     26  O   LIG    1        0.593   4.495  -2.497  0.00  0.00    -0.480 OA
ENDBRANCH   1  26
BRANCH   5  27
ATOM     27  O   LIG    1       -0.453  -1.014   1.913  0.00  0.00    -0.438 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -0.977  -2.250   1.593  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1       -0.765  -2.932   0.381  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1        0.116  -2.407  -0.715  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -1.392  -4.178   0.190  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -2.166  -4.752   1.198  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -2.309  -4.090   2.408  0.00  0.00    +0.127 A 
ATOM     34  F   LIG    1       -3.034  -4.649   3.385  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1       -1.713  -2.855   2.618  0.00  0.00    +0.085 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 5