REMARK  Name = BDB043456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.941   1.177   0.504  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.020   1.805   1.343  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -1.308   1.357   1.407  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.765   0.278   0.631  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -0.823  -0.325  -0.222  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.508   0.116  -0.292  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.124  -0.182   0.701  0.00  0.00    -0.210 N 
ATOM      8  C   LIG    1       -3.567  -1.381   0.165  0.00  0.00    +0.231 C 
ATOM      9  O   LIG    1       -2.936  -2.262  -0.407  0.00  0.00    -0.274 OA
ATOM     10  C   LIG    1       -5.040  -1.528   0.413  0.00  0.00    +0.095 C 
ATOM     11  C   LIG    1       -5.938  -1.476  -0.840  0.00  0.00    +0.025 C 
ATOM     12  C   LIG    1       -7.220  -0.893  -0.225  0.00  0.00    +0.016 C 
ATOM     13  C   LIG    1       -6.513   0.376   0.277  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -5.906   0.815  -1.038  0.00  0.00    -0.027 C 
ATOM     15  C   LIG    1       -5.561  -0.295  -1.708  0.00  0.00    -0.027 C 
ATOM     16  C   LIG    1       -5.432  -0.258   1.179  0.00  0.00    +0.095 C 
ATOM     17  C   LIG    1       -4.155   0.522   1.302  0.00  0.00    +0.231 C 
ATOM     18  O   LIG    1       -4.138   1.617   1.850  0.00  0.00    -0.274 OA
ENDBRANCH   4   7
BRANCH   1  20
ATOM     19  O   LIG    1        2.538   2.873   0.707  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        2.342   1.687   0.466  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        3.301   0.740   0.186  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        3.032  -0.239   0.119  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.701   0.914   0.051  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        5.442  -0.258  -0.179  0.00  0.00    +0.092 A 
ATOM     25  C   LIG    1        6.842  -0.149  -0.325  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.578  -1.320  -0.552  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        6.927  -2.544  -0.630  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.555  -2.559  -0.477  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        7.469   1.104  -0.242  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1        6.716   2.252  -0.018  0.00  0.00    +0.003 A 
ATOM     31  N   LIG    1        4.808  -1.455  -0.257  0.00  0.00    -0.253 NA
ATOM     32  C   LIG    1        5.333   2.159   0.128  0.00  0.00    +0.025 A 
ENDBRANCH  21  23
ENDBRANCH   1  20
TORSDOF 3