REMARK  Name = BDB014072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.564  -1.073  -0.043  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        2.117  -0.434  -1.299  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        0.743   0.265  -1.230  0.00  0.00    +0.123 C 
ATOM      4  N   LIG    1       -0.304  -0.645  -0.717  0.00  0.00    -0.299 N 
ATOM      5  C   LIG    1        0.091  -1.321   0.540  0.00  0.00    +0.123 C 
ATOM      6  C   LIG    1        1.486  -1.972   0.424  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.636  -0.281  -0.837  0.00  0.00    +0.200 A 
ATOM      8  N   LIG    1       -2.055   0.125  -2.069  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1       -1.438   0.056  -2.858  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1       -3.347   0.437  -2.344  0.00  0.00    +0.258 A 
ATOM     11  O   LIG    1       -3.724   0.696  -3.483  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -4.258   0.435  -1.189  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1       -5.673   0.869  -1.422  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -6.410   1.162  -0.118  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -6.095   0.096   0.921  0.00  0.00    +0.106 C 
ATOM     16  N   LIG    1       -4.644   0.011   1.111  0.00  0.00    -0.318 N 
ATOM     17  C   LIG    1       -4.216  -0.612   2.361  0.00  0.00    +0.130 C 
ATOM     18  C   LIG    1       -3.774   0.037   0.006  0.00  0.00    +0.133 A 
ATOM     19  N   LIG    1       -2.460  -0.343   0.162  0.00  0.00    -0.200 NA
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1        2.933  -0.102   1.001  0.00  0.00    +0.120 C 
BRANCH  20  23
ATOM     21  C   LIG    1        5.693  -1.273   0.572  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        5.429   0.204   0.462  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        4.141   0.751   0.649  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        3.965   2.142   0.513  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.035   2.974   0.184  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.298   2.430  -0.015  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.494   1.056   0.119  0.00  0.00    +0.003 A 
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 3