REMARK  Name = BDB026451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.804   0.086  -0.463  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.449   0.060  -0.801  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        0.720  -0.917  -0.783  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        1.074   1.362  -1.117  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        2.203   2.262  -1.055  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        3.248   1.455  -0.294  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.425  -1.036   0.217  0.00  0.00    +0.164 C 
BRANCH   7  11
ATOM      8  C   LIG    1        7.665  -1.423  -0.214  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        6.869  -0.814  -1.169  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1        5.527  -0.665  -1.047  0.00  0.00    -0.257 NA
ATOM     11  C   LIG    1        4.934  -1.139   0.080  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        5.667  -1.778   1.081  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        7.048  -1.915   0.933  0.00  0.00    +0.022 A 
BRANCH   8  15
ATOM     14  N   LIG    1       10.221  -1.634  -0.567  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        9.075  -1.541  -0.411  0.00  0.00    +0.101 C 
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1       -0.224   1.757  -1.634  0.00  0.00    +0.142 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.117   2.423  -0.581  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.244   3.030  -1.234  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -2.964   2.367  -1.139  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -1.637   1.496   0.545  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.883   0.784   0.160  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.781   0.679   1.334  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.017  -0.158   1.083  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.042  -1.113   0.053  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.184  -1.901  -0.142  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.287  -1.759   0.699  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.260  -0.828   1.734  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.865  -1.241  -0.879  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -6.129  -0.033   1.928  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -2.594  -0.581  -0.324  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8