REMARK  Name = BDB034959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.289  -0.614  -2.441  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.754  -0.308  -1.071  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.380  -0.186  -0.864  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -0.968   0.118   0.449  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        0.397   0.248   0.671  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        1.344   0.083  -0.351  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1        0.816  -0.209  -1.605  0.00  0.00    +0.121 A 
ATOM      8  N   LIG    1       -1.812   0.286   1.486  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.125   0.157   1.254  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -0.504  -0.350  -1.877  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -3.637  -0.128   0.001  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        2.795   0.210  -0.139  0.00  0.00    +0.095 A 
ATOM     13  N   LIG    1        3.535   0.485  -1.240  0.00  0.00    -0.149 NA
ATOM     14  N   LIG    1        4.897   0.623  -1.160  0.00  0.00    -0.157 NA
ATOM     15  C   LIG    1        5.506   0.482   0.029  0.00  0.00    +0.135 A 
ATOM     16  C   LIG    1        4.805   0.196   1.181  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.422   0.056   1.094  0.00  0.00    +0.032 A 
ENDBRANCH   6  12
BRANCH   9  18
ATOM     18  N   LIG    1       -3.974   0.365   2.335  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -4.619  -0.406   2.465  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -3.392   0.515   3.155  0.00  0.00    +0.144 HD
ENDBRANCH   9  18
TORSDOF 2