REMARK  Name = BDB014733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.357   4.749   2.164  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.316   4.149   1.166  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.896   3.012   0.486  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.486   2.568   0.490  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.368   1.165   0.015  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.745   0.281  -0.039  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.380  -0.898  -0.553  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -0.937  -0.784  -0.816  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -1.423   0.446  -0.505  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -2.808   0.954  -0.642  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.769   2.495  -0.589  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.423   4.661   0.994  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.979   0.651   0.384  0.00  0.00    -0.297 N 
ATOM     14  H   LIG    1        2.087   1.589   0.746  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.199  -0.060   0.440  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1        3.358  -1.390   0.051  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1        4.605  -2.025   0.140  0.00  0.00    -0.031 A 
ATOM     18  C   LIG    1        4.783  -3.440  -0.309  0.00  0.00    +0.045 C 
ATOM     19  C   LIG    1        5.679  -1.276   0.602  0.00  0.00    +0.114 A 
ATOM     20  N   LIG    1        5.586   0.012   0.990  0.00  0.00    -0.261 NA
ATOM     21  C   LIG    1        4.358   0.577   0.899  0.00  0.00    +0.134 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1       -1.653  -1.924  -1.374  0.00  0.00    +0.147 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.239  -2.794  -0.302  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -3.284  -3.824  -0.653  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.665  -2.618   0.159  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 4