REMARK  Name = BDB029551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.497   0.411   0.028  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        3.168   0.848   0.073  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        2.174   0.211  -0.681  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        0.770   0.707  -0.601  0.00  0.00    +0.247 C 
ATOM      5  N   LIG    1       -0.208  -0.030  -1.277  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1        0.082  -1.403  -1.669  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1        1.440  -1.519  -2.353  0.00  0.00    +0.055 C 
ATOM      8  O   LIG    1        0.503   1.716   0.049  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.503  -0.868  -1.514  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1        3.836  -1.280  -1.598  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        4.820  -0.641  -0.836  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        5.474   1.121   0.758  0.00  0.00    -0.339 N 
ATOM     13  H   LIG    1        5.069   1.551   1.588  0.00  0.00    +0.146 HD
BRANCH  12  17
ATOM     14  C   LIG    1        9.446   2.709   0.349  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1        8.798   1.471   0.768  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1        7.688   1.760   1.715  0.00  0.00    +0.107 C 
ATOM     17  C   LIG    1        6.840   0.711   0.949  0.00  0.00    +0.098 C 
ATOM     18  C   LIG    1        7.780   1.052  -0.235  0.00  0.00    +0.107 C 
ENDBRANCH  12  17
ENDBRANCH   1  12
BRANCH   5  19
ATOM     19  C   LIG    1       -1.608   0.356  -1.092  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.243  -0.202   0.203  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.470   0.143   1.359  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.988   0.973   1.162  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.690   0.338   0.341  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.437  -0.102   1.538  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.782   0.501   1.583  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.800  -0.154   0.670  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.625  -1.479   0.226  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.598  -2.073  -0.590  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.746  -1.366  -0.946  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.930  -0.061  -0.494  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.368  -2.237   0.575  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -7.964   0.541   0.313  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.557  -1.559   1.690  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7