REMARK  Name = BDB051194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.520   1.372   0.016  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1        0.466   2.771   0.184  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.771   3.362  -0.112  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -0.902   4.740   0.007  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.156   5.551   0.425  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.379   4.977   0.739  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.838   2.663  -0.499  0.00  0.00    -0.194 NA
ATOM      8  C   LIG    1       -1.698   1.336  -0.575  0.00  0.00    +0.326 A 
ATOM      9  C   LIG    1        1.536   3.597   0.623  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.567   0.658  -0.332  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        1.732   0.678   0.281  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        2.542   1.223   0.008  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  C   LIG    1        3.405  -4.011   0.465  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1        2.589  -2.776   0.399  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1        1.254  -2.856   0.361  0.00  0.00    -0.178 NA
ATOM     16  N   LIG    1        0.858  -1.569   0.304  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -0.132  -1.350   0.233  0.00  0.00    +0.190 HD
ATOM     18  C   LIG    1        1.894  -0.670   0.314  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        3.037  -1.434   0.368  0.00  0.00    +0.068 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  O   LIG    1       -2.846   0.648  -0.958  0.00  0.00    -0.424 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.805  -0.712  -0.781  0.00  0.00    +0.132 A 
ATOM     22  C   LIG    1       -3.151  -1.259   0.456  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -3.099  -2.641   0.633  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -2.717  -3.466  -0.426  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.399  -2.914  -1.668  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -2.452  -1.533  -1.852  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4