REMARK  Name = BDB026449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.648  -1.070   0.547  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.903  -0.497  -0.480  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        1.875  -0.863  -1.643  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        1.203   0.577   0.065  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        1.368   0.621   1.504  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        2.606  -0.238   1.732  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.695  -2.045   0.316  0.00  0.00    +0.164 C 
BRANCH   7  11
ATOM      8  C   LIG    1        7.464  -0.207  -0.489  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        7.112  -0.699   0.758  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1        5.923  -1.291   1.030  0.00  0.00    -0.257 NA
ATOM     11  C   LIG    1        5.035  -1.410   0.007  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        5.310  -0.935  -1.275  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        6.540  -0.329  -1.525  0.00  0.00    +0.022 A 
BRANCH   8  15
ATOM     14  N   LIG    1        9.771   0.906  -0.857  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        8.736   0.407  -0.694  0.00  0.00    +0.101 C 
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1        0.178   1.330  -0.640  0.00  0.00    +0.142 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.277   0.876  -0.384  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.619   1.204   0.969  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -2.589   1.285   0.998  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -1.481  -0.628  -0.683  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.834  -1.196  -0.755  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.623  -1.192   0.473  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.587  -0.033   0.609  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -4.979   0.728  -0.506  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -5.880   1.788  -0.341  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.406   2.079   0.917  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.035   1.315   2.020  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.399   0.447  -1.869  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.134   0.262   1.867  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.624  -0.874  -1.938  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8