REMARK  Name = BDB014502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.013  -1.087   4.933  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -1.652   0.132   4.822  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.087   0.970   4.754  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.579  -2.154   4.706  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        0.460  -0.995   5.349  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        1.353  -1.688   4.491  0.00  0.00    -0.483 OA
BRANCH   6  11
ATOM      7  N   LIG    1        2.525  -0.290  -0.683  0.00  0.00    -0.259 N 
ATOM      8  C   LIG    1        2.145  -0.369   0.640  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        2.404  -1.683   1.018  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        2.121  -2.092   2.333  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        1.577  -1.175   3.242  0.00  0.00    +0.122 A 
ATOM     12  C   LIG    1        1.340   0.141   2.843  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        2.929  -2.292  -0.140  0.00  0.00    +0.143 A 
ATOM     14  C   LIG    1        1.614   0.568   1.535  0.00  0.00    +0.031 A 
ATOM     15  N   LIG    1        3.010  -1.453  -1.174  0.00  0.00    -0.178 NA
BRANCH   7  19
ATOM     16  C   LIG    1        5.194   2.435  -3.486  0.00  0.00    +0.105 C 
ATOM     17  N   LIG    1        3.857   2.110  -3.009  0.00  0.00    -0.303 NA
ATOM     18  C   LIG    1        3.875   1.535  -1.657  0.00  0.00    +0.111 C 
ATOM     19  C   LIG    1        2.492   0.891  -1.525  0.00  0.00    +0.123 C 
ATOM     20  C   LIG    1        2.029   0.654  -2.971  0.00  0.00    +0.043 C 
ATOM     21  C   LIG    1        3.216   1.075  -3.826  0.00  0.00    +0.086 C 
ENDBRANCH   7  19
ENDBRANCH   6  11
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  22
ATOM     22  C   LIG    1       -2.974   0.248   4.226  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.917   0.502   2.711  0.00  0.00    +0.145 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -1.997   1.578   2.444  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -1.731   1.432   1.510  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -2.503  -0.737   1.888  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.271  -0.397   0.461  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -3.536  -0.093  -0.242  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -3.369   0.078  -1.739  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -2.258  -0.464  -2.408  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -2.138  -0.316  -3.796  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.129   0.343  -4.521  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.242   0.864  -3.865  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.166  -1.142  -1.623  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -4.364   0.730  -2.482  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -1.615  -1.537  -0.213  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 9