REMARK  Name = BDB057712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.442  -0.328  -0.612  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -1.310  -0.572  -1.390  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        0.126  -0.393  -1.038  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1        0.620  -1.654  -0.330  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1        0.100  -2.907  -0.750  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1        0.592  -4.096  -0.189  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        1.585  -4.058   0.785  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        2.085  -2.833   1.216  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.066  -2.998  -1.722  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1        1.608  -1.641   0.664  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.454  -1.660  -2.362  0.00  0.00    +0.113 C 
ATOM     12  O   LIG    1       -3.508  -0.911  -0.844  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -2.195   0.048   1.916  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -2.413   0.688   0.530  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1       -3.666   1.599   0.459  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -4.713   1.276   1.514  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1       -4.144   1.387   2.926  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1       -2.672   0.980   3.038  0.00  0.00    +0.015 C 
BRANCH  13  20
ATOM     19  O   LIG    1       -3.836  -1.630   2.657  0.00  0.00    -0.251 OA
ATOM     20  C   LIG    1       -2.800  -1.336   2.088  0.00  0.00    +0.309 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.022  -2.299   1.566  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1       -2.528  -3.125   1.706  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  C   LIG    1        0.571   0.998  -0.518  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  N   LIG    1        1.947   1.361  -0.854  0.00  0.00    -0.232 N 
ATOM     25  C   LIG    1        2.895   1.716   0.066  0.00  0.00    +0.254 C 
ATOM     26  O   LIG    1        2.815   1.736   1.280  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1        4.085   2.110  -0.685  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        3.773   2.028  -2.030  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        4.687   2.350  -3.014  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        5.956   2.764  -2.595  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.274   2.848  -1.223  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        5.328   2.519  -0.246  0.00  0.00    +0.014 A 
ATOM     33  C   LIG    1        2.386   1.582  -2.133  0.00  0.00    +0.254 C 
ATOM     34  O   LIG    1        1.777   1.471  -3.179  0.00  0.00    -0.270 OA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5