REMARK  Name = BDB026466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.370  -3.049  -0.302  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        0.457  -2.275  -1.009  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        0.630  -1.779  -2.111  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1       -0.674  -2.137  -0.216  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1       -0.496  -2.743   1.085  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        0.955  -3.212   1.075  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.745  -3.233  -0.722  0.00  0.00    +0.164 C 
BRANCH   7  11
ATOM      8  C   LIG    1        5.304  -0.115   0.681  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        5.170  -1.335   1.327  0.00  0.00    +0.124 A 
ATOM     10  N   LIG    1        4.376  -2.344   0.886  0.00  0.00    -0.258 NA
ATOM     11  C   LIG    1        3.662  -2.124  -0.250  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        3.716  -0.914  -0.942  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        4.545   0.103  -0.469  0.00  0.00    +0.016 A 
BRANCH   8  15
ATOM     14  O   LIG    1        6.326   0.956   2.487  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        6.196   0.908   1.267  0.00  0.00    +0.248 C 
ATOM     16  N   LIG    1        6.838   1.772   0.406  0.00  0.00    -0.297 N 
ATOM     17  C   LIG    1        7.918   2.686   0.772  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1        8.687   2.135  -0.430  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        7.379   1.516  -0.926  0.00  0.00    +0.109 C 
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1       -1.803  -1.277  -0.540  0.00  0.00    +0.142 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.516   0.200  -0.221  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.470   0.410   1.199  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -1.127   1.310   1.341  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -2.542   1.153  -0.884  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.971   0.828  -0.694  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.373   0.905   0.726  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.870   0.821   0.955  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.782   1.041  -0.090  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.159   0.976   0.158  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.631   0.721   1.445  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.731   0.521   2.490  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.273   1.282  -1.486  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.359   0.573   2.248  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.808   1.735  -1.498  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8