REMARK  Name = BDB049648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.254  -1.468  -0.684  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.465  -0.769  -0.559  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.344   0.582  -0.312  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.444   0.993  -0.491  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.548  -1.341  -0.666  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.375   1.500  -0.013  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -3.022   2.858   0.038  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -3.976   3.852   0.330  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -5.294   3.463   0.593  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -5.637   2.118   0.552  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -6.901   1.759   0.812  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -4.694   1.137   0.254  0.00  0.00    +0.061 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.579   5.303   0.398  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -3.244   5.689   1.659  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -4.569   6.147  -0.005  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -2.500   5.597  -0.382  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1        2.589   0.247  -0.487  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1        2.614  -1.208  -0.302  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        1.213  -1.768  -0.011  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.095  -0.859  -0.554  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        0.555  -0.247  -1.882  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        1.806   0.618  -1.676  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1        3.959   0.791  -0.525  0.00  0.00    +0.084 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.996   2.326  -0.488  0.00  0.00    +0.015 C 
BRANCH  24  26
ATOM     25  C   LIG    1        6.204   2.590   0.773  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        5.418   2.895  -0.493  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  27
ATOM     27  C   LIG    1       -1.364  -2.869  -1.116  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.252  -3.884   0.004  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -0.538  -5.075  -0.205  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -0.441  -6.037   0.804  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.070  -5.827   2.029  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.800  -4.661   2.243  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.897  -3.699   1.236  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8