REMARK  Name = BDB050429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.293  -0.670   0.477  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        0.090  -0.534  -0.244  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -1.017  -1.380  -0.049  0.00  0.00    +0.033 A 
ATOM      4  N   LIG    1       -2.210  -1.230  -0.757  0.00  0.00    -0.330 N 
ATOM      5  C   LIG    1       -3.354  -2.072  -0.399  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1       -2.911  -3.481  -0.049  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1       -1.965  -3.417   1.137  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.855  -2.428   0.884  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        0.332  -2.562   1.625  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        1.394  -1.688   1.426  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        3.392   0.010  -0.738  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.414   0.255   0.239  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        2.540   1.444   0.983  0.00  0.00    +0.133 A 
ATOM     14  C   LIG    1        3.610   2.305   0.739  0.00  0.00    +0.089 A 
ATOM     15  C   LIG    1        4.530   1.975  -0.244  0.00  0.00    +0.120 A 
ATOM     16  N   LIG    1        4.432   0.856  -0.970  0.00  0.00    -0.237 NA
BRANCH  15  17
ATOM     17  N   LIG    1        5.614   2.820  -0.503  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        5.278   3.738  -0.775  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        6.180   2.918   0.333  0.00  0.00    +0.144 HD
ENDBRANCH  15  17
BRANCH  11  21
ATOM     20  C   LIG    1        4.258  -2.330  -1.009  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1        3.391  -1.229  -1.602  0.00  0.00    +0.053 C 
ENDBRANCH  11  21
BRANCH  13  22
ATOM     22  O   LIG    1        1.574   1.669   1.935  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1        1.553   2.937   2.575  0.00  0.00    +0.277 C 
ENDBRANCH  13  22
ENDBRANCH   1  12
BRANCH   4  24
ATOM     24  C   LIG    1       -2.459  -0.103  -1.663  0.00  0.00    +0.107 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.695   1.234  -0.956  0.00  0.00    +0.047 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.951   1.254  -0.092  0.00  0.00    +0.161 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -4.223   2.575   0.385  0.00  0.00    -0.383 OA
ATOM     28  C   LIG    1       -4.986   3.353  -0.527  0.00  0.00    +0.193 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 8