REMARK  Name = BDB061227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.646  -1.367   1.703  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -2.973  -0.529   0.833  0.00  0.00    -0.230 N 
ATOM      3  C   LIG    1       -3.121   0.726   1.365  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -2.531   1.869   0.714  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.819   1.643  -0.475  0.00  0.00    +0.058 A 
ATOM      6  N   LIG    1       -1.711   0.298  -0.976  0.00  0.00    -0.284 N 
ATOM      7  C   LIG    1       -1.229   2.742  -1.116  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -1.355   4.029  -0.581  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.067   4.238   0.596  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.657   3.157   1.246  0.00  0.00    +0.013 A 
ATOM     11  N   LIG    1       -3.823   0.666   2.474  0.00  0.00    -0.129 NA
ATOM     12  C   LIG    1       -2.270  -0.821  -0.337  0.00  0.00    +0.337 A 
ATOM     13  O   LIG    1       -2.169  -1.982  -0.708  0.00  0.00    -0.246 OA
ATOM     14  N   LIG    1       -4.153  -0.647   2.686  0.00  0.00    -0.134 NA
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1       -4.921  -3.218   0.626  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -3.784  -2.843   1.563  0.00  0.00    +0.073 C 
ENDBRANCH   1  16
BRANCH   6  17
ATOM     17  C   LIG    1       -1.021   0.047  -2.250  0.00  0.00    +0.222 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.515   0.055  -2.196  0.00  0.00    +0.237 C 
ATOM     19  N   LIG    1        1.041  -0.067  -0.923  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        0.371  -0.111  -0.167  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        1.158   0.116  -3.241  0.00  0.00    -0.274 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.397  -0.105  -0.544  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        3.463  -0.052  -1.442  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        4.788  -0.094  -0.984  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        5.061  -0.190   0.379  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        3.996  -0.244   1.278  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        2.675  -0.203   0.823  0.00  0.00    +0.027 A 
BRANCH  25  28
ATOM     28  O   LIG    1        6.300  -0.239   0.953  0.00  0.00    -0.495 OA
ATOM     29  C   LIG    1        7.417  -0.199   0.073  0.00  0.00    +0.277 C 
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 5