REMARK  Name = BDB053447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.622  -1.007   0.892  0.00  0.00    +0.197 C 
ATOM      2  N   LIG    1       -0.671  -2.034   1.744  0.00  0.00    -0.241 N 
ATOM      3  C   LIG    1       -1.782  -2.694   2.392  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1        0.617  -2.450   1.962  0.00  0.00    +0.271 C 
ATOM      5  O   LIG    1        1.040  -3.353   2.659  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.412  -1.518   1.119  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.745  -1.595   1.031  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.557  -0.650   0.486  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.620  -0.737   0.217  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.382   0.636   0.049  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.279   1.368  -0.702  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        4.193   2.700  -0.965  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        5.374   2.894  -1.770  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.142   1.689  -1.964  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.390   0.793  -1.270  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        5.669  -0.545  -1.116  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        4.776  -1.313  -0.360  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  19
ATOM     18  C   LIG    1       -3.044  -0.330   0.564  0.00  0.00    +0.328 C 
ATOM     19  N   LIG    1       -1.660  -0.299   0.406  0.00  0.00    -0.248 N 
ATOM     20  H   LIG    1       -1.340   0.427  -0.231  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1       -3.707  -1.082   1.256  0.00  0.00    -0.263 OA
BRANCH  18  22
ATOM     22  C   LIG    1       -3.719   0.768  -0.287  0.00  0.00    +0.395 C 
ATOM     23  O   LIG    1       -3.050   1.523  -0.976  0.00  0.00    -0.240 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -5.056   0.749  -0.149  0.00  0.00    -0.458 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -7.231   1.598  -0.657  0.00  0.00    +0.048 C 
ATOM     26  C   LIG    1       -5.744   1.744  -0.914  0.00  0.00    +0.229 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH   1  19
TORSDOF 5