REMARK  Name = BDB052200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.603  -2.170   0.783  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1        0.703  -1.042  -0.051  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -0.396  -0.192  -0.076  0.00  0.00    +0.152 A 
ATOM      4  O   LIG    1       -0.511   0.967  -0.815  0.00  0.00    -0.458 OA
ATOM      5  C   LIG    1       -1.806   1.443  -0.636  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -2.523   0.697   0.472  0.00  0.00    +0.117 C 
ATOM      7  C   LIG    1       -2.693   1.554   1.731  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1       -3.878   0.311  -0.111  0.00  0.00    +0.169 C 
ATOM      9  O   LIG    1       -4.380  -0.807   0.028  0.00  0.00    -0.295 OA
ATOM     10  C   LIG    1       -4.662   1.423  -0.787  0.00  0.00    +0.192 C 
ATOM     11  C   LIG    1       -3.811   2.555  -1.323  0.00  0.00    +0.177 C 
ATOM     12  O   LIG    1       -4.299   3.628  -1.672  0.00  0.00    -0.291 OA
ATOM     13  C   LIG    1       -2.356   2.342  -1.457  0.00  0.00    +0.090 C 
ATOM     14  C   LIG    1       -1.543  -0.417   0.700  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -1.599  -1.498   1.556  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1       -0.527  -2.385   1.598  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1        1.896  -0.733  -0.887  0.00  0.00    +0.251 C 
ATOM     18  N   LIG    1        3.101  -1.222  -0.436  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        3.127  -1.706   0.453  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        1.790  -0.065  -1.909  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.359  -0.865  -1.048  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.066   0.188  -0.235  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        4.689   1.535  -0.349  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.324   2.515   0.415  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.337   2.159   1.303  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.714   0.823   1.431  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.079  -0.159   0.669  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   2  17
BRANCH  10  28
ATOM     28  C   LIG    1       -5.534   0.869  -1.889  0.00  0.00    +0.148 C 
ATOM     29  O   LIG    1       -5.077   0.612  -3.004  0.00  0.00    -0.296 OA
ATOM     30  C   LIG    1       -6.980   0.612  -1.559  0.00  0.00    +0.087 C 
ENDBRANCH  10  28
BRANCH   1  32
ATOM     31  C   LIG    1        1.422  -4.156  -0.029  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        1.627  -3.080   0.893  0.00  0.00    -0.494 OA
ENDBRANCH   1  32
BRANCH  15  33
ATOM     33  O   LIG    1       -2.681  -1.654   2.361  0.00  0.00    -0.506 OA
ATOM     34  H   LIG    1       -2.675  -2.551   2.736  0.00  0.00    +0.292 HD
ENDBRANCH  15  33
TORSDOF 6