REMARK  Name = BDB044056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.903   0.791   0.135  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1        1.992  -0.249   0.141  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1        0.623  -0.141   0.091  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1        0.123  -1.434   0.148  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1        1.234  -2.420   0.199  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1        1.189  -3.629   0.237  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1       -1.172  -1.779   0.153  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1        2.422  -1.573   0.191  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1        3.758  -1.925   0.229  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        4.690  -0.886   0.224  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.270   0.461   0.181  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.322  -0.860   0.094  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1       -2.284   0.450   0.595  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -3.412   1.266   0.516  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1       -4.600   0.798  -0.029  0.00  0.00    +0.090 A 
ATOM     16  C   LIG    1       -4.648  -0.506  -0.505  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1       -3.527  -1.333  -0.446  0.00  0.00    +0.053 A 
BRANCH  14  18
ATOM     18  O   LIG    1       -3.383   2.552   0.972  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -2.468   2.767   1.227  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
BRANCH  16  20
ATOM     20  O   LIG    1       -5.789  -1.022  -1.048  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1       -6.479  -0.339  -1.016  0.00  0.00    +0.292 HD
ENDBRANCH  16  20
ENDBRANCH   7  12
BRANCH   1  25
ATOM     22  N   LIG    1        3.251   3.117  -0.472  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        3.999   2.853  -1.098  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        2.866   4.048  -0.578  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1        2.433   2.196   0.124  0.00  0.00    +0.245 C 
ATOM     26  O   LIG    1        1.360   2.530   0.609  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 4