REMARK  Name = BDB034479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.701   0.031   1.888  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1        2.604  -0.091   1.012  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1        2.087   1.083   0.417  0.00  0.00    +0.087 A 
ATOM      4  C   LIG    1        0.978   0.903  -0.460  0.00  0.00    +0.136 A 
ATOM      5  C   LIG    1        0.396  -0.347  -0.715  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        1.003  -1.432  -0.100  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        0.549  -2.846  -0.312  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1        2.690   2.349   0.715  0.00  0.00    +0.133 A 
ATOM      9  C   LIG    1        3.780   2.433   1.576  0.00  0.00    +0.050 A 
ATOM     10  N   LIG    1        2.065  -1.299   0.733  0.00  0.00    -0.248 NA
ATOM     11  C   LIG    1        4.279   1.278   2.156  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        3.810  -2.280   2.551  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        4.358  -0.970   2.570  0.00  0.00    -0.493 OA
ENDBRANCH   1  13
BRANCH   4  14
ATOM     14  O   LIG    1        0.433   1.974  -1.137  0.00  0.00    -0.506 OA
ATOM     15  H   LIG    1        0.873   2.781  -0.811  0.00  0.00    +0.292 HD
ENDBRANCH   4  14
BRANCH   8  16
ATOM     16  O   LIG    1        2.130   3.452   0.104  0.00  0.00    -0.494 OA
ATOM     17  C   LIG    1        2.672   4.732   0.414  0.00  0.00    +0.277 C 
ENDBRANCH   8  16
BRANCH   5  18
ATOM     18  C   LIG    1       -0.806  -0.480  -1.627  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.049   0.085  -1.066  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -2.629  -0.701   0.029  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1       -3.506   0.201   0.914  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -3.391  -1.959  -0.440  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -3.936  -1.872  -1.866  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.242  -0.439  -2.254  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -3.010   0.462  -2.112  0.00  0.00    +0.085 C 
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5