REMARK  Name = BDB047458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.134  -0.165  -0.530  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1       -0.597  -1.349  -0.355  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -1.957  -1.022  -0.418  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.921  -2.051  -0.300  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1       -2.500  -3.359  -0.070  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -1.157  -3.668   0.051  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.028   0.384  -0.600  0.00  0.00    +0.168 A 
ATOM      8  C   LIG    1       -0.186  -2.671  -0.080  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -0.751   0.887  -0.740  0.00  0.00    +0.175 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.377   0.159  -0.254  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1        3.770  -0.882  -0.976  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        2.377  -0.992  -1.069  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.554  -0.056  -0.440  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        2.133   0.993   0.279  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.526   1.092   0.370  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1        6.699  -0.794  -0.872  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1        5.904   0.305  -0.131  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1        6.314   0.240   1.356  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1        6.345   1.663  -0.721  0.00  0.00    +0.015 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  O   LIG    1       -3.399  -4.377   0.060  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1       -4.294  -4.015  -0.049  0.00  0.00    +0.292 HD
ENDBRANCH   5  20
BRANCH   9  22
ATOM     22  C   LIG    1       -0.413   2.237  -1.080  0.00  0.00    +0.358 C 
ATOM     23  O   LIG    1       -0.901   3.267  -0.642  0.00  0.00    -0.243 OA
BRANCH  22  24
ATOM     24  O   LIG    1        0.529   2.286  -2.043  0.00  0.00    -0.476 OA
ATOM     25  H   LIG    1        0.644   3.244  -2.203  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH   9  22
BRANCH   7  26
ATOM     26  O   LIG    1       -3.121   1.170  -0.749  0.00  0.00    -0.453 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.234   1.003   0.038  0.00  0.00    +0.129 A 
ATOM     28  C   LIG    1       -5.475   1.125  -0.586  0.00  0.00    +0.058 A 
ATOM     29  C   LIG    1       -6.659   0.989   0.155  0.00  0.00    +0.058 A 
ATOM     30  C   LIG    1       -6.571   0.757   1.537  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1       -5.327   0.657   2.162  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.157   0.787   1.415  0.00  0.00    +0.046 A 
BRANCH  29  33
ATOM     33  C   LIG    1       -8.000   1.134  -0.519  0.00  0.00    +0.418 C 
ATOM     34  F   LIG    1       -8.007   0.660  -1.797  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -8.998   0.466   0.126  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1       -8.407   2.430  -0.597  0.00  0.00    -0.166 F 
ENDBRANCH  29  33
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 8