REMARK  Name = BDB006900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.684   0.298   0.956  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.180   1.226   0.387  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.587   1.199   0.484  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1        2.139   2.257  -0.220  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.505   2.396  -0.231  0.00  0.00    +0.119 A 
ATOM      6  N   LIG    1        4.328   1.541   0.412  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1        3.791   0.488   1.091  0.00  0.00    +0.127 A 
ATOM      8  C   LIG    1        1.094   3.100  -0.893  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.206   2.997  -2.419  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.163   4.563  -0.449  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.404   0.305   1.153  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1       -0.205   2.421  -0.387  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.309  -0.673   1.617  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  N   LIG    1        4.644  -0.413   1.788  0.00  0.00    -0.288 N 
ATOM     15  C   LIG    1        6.062  -0.048   1.690  0.00  0.00    +0.137 C 
BRANCH  14  16
ATOM     16  C   LIG    1        4.463  -1.818   1.875  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        3.907  -2.565   0.825  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        3.741  -3.949   0.936  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        4.131  -4.608   2.099  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.685  -3.885   3.152  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.850  -2.502   3.039  0.00  0.00    +0.023 A 
ENDBRANCH  14  16
ENDBRANCH   7  14
BRANCH   1  22
ATOM     22  C   LIG    1       -2.193   0.516   0.717  0.00  0.00    +0.181 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -4.238  -0.668  -0.075  0.00  0.00    +0.097 C 
ATOM     24  N   LIG    1       -2.755  -0.542  -0.133  0.00  0.00    -0.286 NA
ATOM     25  C   LIG    1       -2.276  -0.532  -1.521  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -2.640  -1.855  -2.267  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1       -1.460  -2.831  -2.246  0.00  0.00    +0.025 C 
ATOM     28  N   LIG    1       -3.820  -2.555  -1.706  0.00  0.00    -0.311 NA
ATOM     29  H   LIG    1       -3.498  -3.050  -0.869  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1       -4.798  -1.558  -1.233  0.00  0.00    +0.102 C 
BRANCH  23  31
ATOM     31  C   LIG    1       -5.039   0.657  -0.022  0.00  0.00    +0.179 C 
BRANCH  31  33
ATOM     32  C   LIG    1       -7.212   1.575   0.101  0.00  0.00    +0.194 C 
ATOM     33  O   LIG    1       -6.440   0.382   0.055  0.00  0.00    -0.381 OA
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6