REMARK  Name = BDB016004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.851   2.220   0.447  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.089   1.117   0.306  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.212   1.185   0.658  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.778   2.372   1.125  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.909   3.442   1.236  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.398   3.396   0.915  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.159   0.842  -0.870  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.807   0.949  -0.503  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.275   2.126   0.066  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.159   3.204   0.255  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.507   3.112  -0.100  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.004   1.936  -0.658  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.557  -3.386  -3.444  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.837  -2.247  -2.605  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.069  -2.093  -2.089  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.974  -0.957  -1.393  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.683  -0.381  -1.454  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.972  -1.251  -2.256  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.168   2.532   1.503  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.250   2.162   0.732  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.362   2.517   1.438  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.738   2.335   1.043  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.082   3.101   2.617  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.747   3.120   2.650  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.010   0.026   0.512  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.556  -0.082   1.365  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.276  -1.191   0.161  0.00  0.00    +0.108 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.265  -2.340  -0.092  0.00  0.00    +0.034 C 
ATOM     29  C   LIG    1       -2.799  -2.937   1.200  0.00  0.00    +0.165 C 
ATOM     30  O   LIG    1       -1.854  -3.930   1.624  0.00  0.00    -0.379 OA
ATOM     31  C   LIG    1       -1.007  -4.260   0.516  0.00  0.00    +0.160 C 
ATOM     32  C   LIG    1       -1.572  -3.549  -0.696  0.00  0.00    +0.035 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6