REMARK  Name = BDB036998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.317  -0.064  -1.024  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.284  -0.595  -0.300  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1        1.177  -0.702   0.908  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.250  -0.993  -1.258  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        0.696  -0.617  -2.514  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.051  -0.825  -3.654  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -1.287  -1.450  -3.489  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.740  -1.833  -2.205  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -0.987  -1.589  -1.045  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        2.010  -0.001  -2.355  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        2.666   0.464  -3.268  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        5.677   2.509   2.475  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        5.027   1.921   1.616  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        3.931   2.508   1.032  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        3.667   3.413   1.398  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.068   1.957   0.111  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        2.069   2.575  -0.253  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        3.483   0.594  -0.454  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.205  -0.222   0.615  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        5.419   0.555   1.101  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1       -1.386  -1.999   0.226  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1       -0.739  -1.663   0.950  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.782  -1.878   0.649  0.00  0.00    +0.106 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.082  -0.490   1.215  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1       -4.462  -0.418   1.852  0.00  0.00    +0.086 C 
ATOM     26  N   LIG    1       -4.674   1.021   1.976  0.00  0.00    -0.316 NA
ATOM     27  H   LIG    1       -5.659   1.243   2.110  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -4.163   1.621   0.742  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1       -3.142   0.634   0.183  0.00  0.00    +0.021 C 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 4