REMARK  Name = BDB018313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.402  -3.908   0.501  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.636  -2.484   0.320  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.937  -2.010   0.262  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.948  -2.700   0.352  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -4.081  -0.546   0.075  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -3.013   0.273   0.000  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -1.655  -0.305   0.084  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -1.543  -1.641   0.234  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -3.299   1.652  -0.228  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1       -4.072   2.354   0.663  0.00  0.00    -0.277 N 
ATOM     11  H   LIG    1       -4.510   2.018   1.515  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1       -4.240   3.645   0.330  0.00  0.00    -0.182 NA
ATOM     13  C   LIG    1       -3.537   3.774  -0.797  0.00  0.00    +0.135 A 
ATOM     14  C   LIG    1       -2.929   2.568  -1.190  0.00  0.00    +0.049 A 
ENDBRANCH   6   9
BRANCH   7  15
ATOM     15  C   LIG    1       -0.475   0.510   0.025  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        0.643   0.270  -0.745  0.00  0.00    +0.117 A 
ATOM     17  N   LIG    1        1.525   1.278  -0.463  0.00  0.00    -0.267 N 
ATOM     18  N   LIG    1        1.043   2.171   0.427  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1       -0.170   1.697   0.726  0.00  0.00    +0.143 A 
BRANCH  17  20
ATOM     20  C   LIG    1        2.846   1.470  -1.048  0.00  0.00    +0.178 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.827   0.427  -0.570  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1        4.352  -0.522  -1.459  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        5.260  -1.484  -1.012  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.652  -1.506   0.325  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.140  -0.566   1.217  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.233   0.396   0.773  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   7  15
TORSDOF 4