REMARK  Name = BDB029407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.230   1.787  -0.820  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.235   2.515  -0.181  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -3.529   1.991  -0.102  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -3.842   0.745  -0.672  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1       -2.820   0.041  -1.334  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.524   0.558  -1.416  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -5.207   0.198  -0.589  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1       -5.840   0.037   0.659  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -7.122  -0.482   0.696  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -8.014  -0.757   1.870  0.00  0.00    +0.133 C 
ATOM     11  C   LIG    1       -9.271  -1.319   1.194  0.00  0.00    +0.222 C 
ATOM     12  N   LIG    1       -9.040  -1.328  -0.177  0.00  0.00    -0.285 N 
ATOM     13  H   LIG    1       -9.723  -1.655  -0.844  0.00  0.00    +0.155 HD
ATOM     14  O   LIG    1      -10.291  -1.693   1.747  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -7.780  -0.839  -0.477  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -7.204  -0.698  -1.718  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -5.906  -0.175  -1.766  0.00  0.00    +0.010 A 
ENDBRANCH   4   7
BRANCH   1  23
ATOM     18  C   LIG    1        4.626  -0.574   0.926  0.00  0.00    +0.403 C 
ATOM     19  N   LIG    1        3.581   0.239   0.538  0.00  0.00    -0.264 N 
ATOM     20  C   LIG    1        2.328   0.222   1.288  0.00  0.00    +0.130 C 
ATOM     21  C   LIG    1        1.108   0.421   0.377  0.00  0.00    +0.127 C 
ATOM     22  N   LIG    1        1.215   1.618  -0.472  0.00  0.00    -0.295 N 
ATOM     23  C   LIG    1        0.128   2.371  -0.907  0.00  0.00    +0.247 C 
ATOM     24  O   LIG    1        0.236   3.507  -1.363  0.00  0.00    -0.270 OA
ATOM     25  C   LIG    1        2.554   2.189  -0.640  0.00  0.00    +0.127 C 
ATOM     26  C   LIG    1        3.657   1.126  -0.625  0.00  0.00    +0.130 C 
ATOM     27  O   LIG    1        4.584  -1.306   1.907  0.00  0.00    -0.226 OA
BRANCH  18  28
ATOM     28  O   LIG    1        5.688  -0.466   0.088  0.00  0.00    -0.445 OA
BRANCH  28  30
ATOM     29  C   LIG    1        6.628  -2.741   0.204  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        6.898  -1.236   0.308  0.00  0.00    +0.107 C 
ATOM     31  C   LIG    1        7.832  -0.825  -0.840  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        7.563  -0.862   1.637  0.00  0.00    +0.055 C 
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH   1  23
TORSDOF 4