REMARK  Name = BDB008594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.435  -0.936  -1.713  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        0.143   0.115  -2.670  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   9
ATOM      3  C   LIG    1        2.498  -1.328   0.797  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1        2.265  -2.649   1.229  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        1.192  -3.354   0.703  0.00  0.00    +0.139 A 
ATOM      6  O   LIG    1        1.128  -4.603   1.244  0.00  0.00    -0.463 OA
ATOM      7  C   LIG    1        2.161  -4.707   2.119  0.00  0.00    +0.196 A 
ATOM      8  C   LIG    1        0.310  -2.845  -0.244  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        0.535  -1.530  -0.692  0.00  0.00    -0.020 A 
ATOM     10  C   LIG    1        2.888  -3.540   2.149  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1        1.617  -0.795  -0.164  0.00  0.00    +0.052 A 
BRANCH   3  12
ATOM     12  O   LIG    1        3.568  -0.680   1.349  0.00  0.00    -0.491 OA
BRANCH  12  13
ATOM     13  C   LIG    1        3.803   0.687   1.005  0.00  0.00    +0.231 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.685   0.776  -0.239  0.00  0.00    +0.069 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.994   2.217  -0.615  0.00  0.00    +0.163 C 
BRANCH  15  17
ATOM     16  C   LIG    1        3.994   4.227  -1.336  0.00  0.00    +0.193 C 
ATOM     17  O   LIG    1        3.781   2.868  -0.981  0.00  0.00    -0.383 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
ENDBRANCH   1   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.695  -0.502  -1.069  0.00  0.00    -0.290 N 
ATOM     19  C   LIG    1       -1.674   0.592  -0.190  0.00  0.00    +0.235 C 
ATOM     20  O   LIG    1       -0.688   1.327  -0.070  0.00  0.00    -0.274 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -2.909   0.805   0.716  0.00  0.00    +0.155 C 
ATOM     22  N   LIG    1       -3.081   2.259   0.991  0.00  0.00    -0.303 NA
ATOM     23  H   LIG    1       -2.215   2.544   1.460  0.00  0.00    +0.123 HD
ATOM     24  C   LIG    1       -4.196   2.473   1.930  0.00  0.00    +0.096 C 
ATOM     25  C   LIG    1       -4.453   1.335   2.946  0.00  0.00    +0.096 C 
ATOM     26  N   LIG    1       -3.246   0.564   3.243  0.00  0.00    -0.313 NA
ATOM     27  H   LIG    1       -3.442  -0.167   3.924  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -2.699  -0.035   2.009  0.00  0.00    +0.109 C 
ENDBRANCH  19  21
BRANCH  18  29
ATOM     29  C   LIG    1       -2.848  -1.359  -1.244  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1       -4.108  -0.855  -1.908  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1       -3.266  -1.873  -2.604  0.00  0.00    +0.024 C 
ENDBRANCH  18  29
ENDBRANCH   1  18
TORSDOF 9