REMARK  Name = BDB053438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.823  -0.664  -0.243  0.00  0.00    +0.190 C 
ATOM      2  N   LIG    1       -2.137  -1.961   0.018  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1       -3.438  -2.585   0.020  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1       -0.975  -2.663   0.163  0.00  0.00    +0.271 C 
ATOM      5  O   LIG    1       -0.804  -3.846   0.390  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.062  -1.614  -0.041  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        1.371  -1.895   0.014  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -0.547  -0.408  -0.299  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        2.483  -0.952  -0.184  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        2.428   0.381   0.250  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        3.537   1.179   0.054  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        3.647   2.487   0.412  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        4.987   2.779  -0.035  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        5.653   1.647  -0.632  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        4.681   0.701  -0.538  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        4.782  -0.603  -0.965  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.672  -1.436  -0.779  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -2.748   0.315  -0.455  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1       -2.248   1.148  -0.763  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.664   0.694   0.605  0.00  0.00    +0.131 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -4.540   3.049   0.513  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.532   1.787   0.064  0.00  0.00    -0.016 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4