REMARK  Name = BDB021864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.281   0.071  -0.068  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.957   1.303  -0.105  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.331   1.199  -0.094  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -3.705   0.355   0.319  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.346   2.369  -0.135  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.279   2.234  -0.283  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -5.630   2.002   0.038  0.00  0.00    +0.035 A 
ATOM      8  I   LIG    1       -6.297   0.170   0.826  0.00  0.00    -0.042 I 
ATOM      9  C   LIG    1       -6.596   2.999  -0.153  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -6.226   4.236  -0.674  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.896   4.475  -1.006  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.931   3.480  -0.816  0.00  0.00    +0.024 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1        2.964  -0.271  -0.288  0.00  0.00    -0.300 NA
ATOM     14  C   LIG    1        2.215  -1.446   0.147  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        0.866  -1.027   0.743  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        0.200   0.123  -0.039  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        0.791   0.243  -1.447  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        2.309   0.455  -1.383  0.00  0.00    +0.086 C 
BRANCH  13  19
ATOM     19  C   LIG    1        4.413  -0.508  -0.454  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1        4.759  -1.477  -1.595  0.00  0.00    +0.024 C 
BRANCH  19  21
ATOM     21  C   LIG    1        5.170   0.837  -0.590  0.00  0.00    +0.018 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.284   0.139   0.672  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.701   0.744  -0.596  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   1  24
ATOM     24  C   LIG    1       -1.923  -1.172  -0.515  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.675  -1.928   0.562  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -2.527  -1.655   1.930  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.240  -2.386   2.883  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.103  -3.403   2.483  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.252  -3.693   1.129  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.541  -2.963   0.175  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7