REMARK  Name = BDB060918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.964  -1.290   0.549  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1        3.709  -0.026   0.132  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        2.376   0.469   0.068  0.00  0.00    +0.140 A 
ATOM      4  N   LIG    1        1.349  -0.406   0.400  0.00  0.00    -0.288 N 
ATOM      5  C   LIG    1        0.160   0.284   0.209  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1        0.550   1.581  -0.092  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1        1.582  -1.701   0.858  0.00  0.00    +0.095 A 
ATOM      8  N   LIG    1        1.919   1.667  -0.225  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        2.843  -2.156   0.941  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.556  -2.416   3.155  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        6.004  -2.299   1.748  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        5.299  -1.797   0.624  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        6.194  -1.906  -0.416  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        6.158  -1.589  -1.857  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        7.354  -2.440   0.052  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        7.238  -2.693   1.406  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  N   LIG    1       -1.071  -0.276   0.435  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -1.727   0.394   0.845  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.812  -0.986  -0.666  0.00  0.00    +0.028 C 
ATOM     20  C   LIG    1       -0.906  -1.955  -1.432  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -2.352   0.078  -1.643  0.00  0.00    +0.031 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -2.986  -1.716   0.078  0.00  0.00    +0.031 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.884  -2.818  -0.568  0.00  0.00    -0.036 C 
ATOM     24  C   LIG    1       -5.078  -3.042   0.394  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -3.151  -4.168  -0.688  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1       -4.460  -2.426  -1.932  0.00  0.00    +0.010 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   6  27
ATOM     27  C   LIG    1       -0.281   2.804  -0.279  0.00  0.00    +0.063 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -0.180   3.744   0.924  0.00  0.00    +0.041 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.047   4.968   0.748  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1       -2.369   4.977   1.213  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -3.174   6.103   1.029  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.666   7.226   0.377  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.353   7.224  -0.093  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -0.547   6.099   0.089  0.00  0.00    +0.003 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   6  27
TORSDOF 8