REMARK  Name = BDB020586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.885  -0.475   1.303  0.00  0.00    +0.056 A 
ATOM      2  N   LIG    1       -1.617   0.738   1.998  0.00  0.00    -0.317 N 
ATOM      3  C   LIG    1       -0.328   1.216   2.240  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.402   2.385   2.967  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -1.767   2.660   3.177  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.767   0.477   1.724  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        0.533  -0.658   1.041  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -2.485   1.651   2.574  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1       -0.822  -1.197   0.844  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -0.906  -2.554   0.193  0.00  0.00    +0.046 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        1.751  -1.292   0.460  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1        1.806  -1.176  -0.908  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        1.056  -0.703  -1.392  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        2.604  -1.820   1.160  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1        2.909  -1.709  -1.680  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.123  -0.817  -1.672  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        5.411  -1.591  -1.778  0.00  0.00    +0.254 A 
ATOM     18  O   LIG    1        5.435  -2.803  -1.974  0.00  0.00    -0.268 OA
ATOM     19  N   LIG    1        6.575  -0.874  -1.679  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        7.424  -1.423  -1.733  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        6.640   0.488  -1.539  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        8.002   1.102  -1.444  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1        5.500   1.190  -1.500  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        4.201   0.533  -1.587  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1        3.033   1.479  -1.595  0.00  0.00    +0.044 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   7  11
BRANCH   1  26
ATOM     26  C   LIG    1       -3.330  -0.924   1.111  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1       -3.935  -1.455   2.413  0.00  0.00    +0.044 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -4.087   0.158   0.563  0.00  0.00    -0.367 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -5.319  -0.233  -0.037  0.00  0.00    +0.190 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -5.484   2.192  -0.730  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -5.991   0.948  -0.701  0.00  0.00    -0.054 C 
ATOM     32  C   LIG    1       -7.310   0.635  -1.352  0.00  0.00    +0.041 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 7