REMARK  Name = BDB034993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.335  -0.756  -1.987  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.905  -0.354  -0.604  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -2.726   0.367  -0.419  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -2.402   0.700   0.913  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -1.236   1.420   1.116  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -0.419   1.801   0.048  0.00  0.00    -0.010 A 
ATOM      7  C   LIG    1       -0.818   1.413  -1.220  0.00  0.00    +0.116 A 
ATOM      8  N   LIG    1       -3.151   0.363   1.981  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -4.277  -0.331   1.773  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -1.949   0.716  -1.470  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -4.688  -0.706   0.503  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -5.045  -0.671   2.890  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -5.973  -0.269   2.803  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -5.142  -1.681   2.944  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   6  15
ATOM     15  C   LIG    1        0.857   2.558   0.263  0.00  0.00    +0.141 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.978   1.657   0.405  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        2.001   1.073   1.230  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        2.744   1.297  -0.684  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        2.577   1.762  -1.806  0.00  0.00    -0.270 OA
BRANCH  18  20
ATOM     20  C   LIG    1        3.784   0.258  -0.448  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        4.398   0.093   0.801  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        5.370  -0.896   0.975  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.735  -1.714  -0.094  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.138  -1.543  -1.342  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.167  -0.555  -1.521  0.00  0.00    +0.013 A 
ENDBRANCH  18  20
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 4