REMARK  Name = BDB007794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.083   1.183  -1.735  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.476   1.777  -0.557  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.231   2.087   0.100  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.808   1.077  -2.717  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.304  -0.202  -0.738  0.00  0.00    +0.122 A 
ATOM      6  N   LIG    1        3.910  -0.263  -1.936  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1        3.227   0.107  -3.043  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        1.932   0.572  -3.023  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.311   0.672  -1.785  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        1.996   0.272  -0.636  0.00  0.00    +0.056 A 
BRANCH   5  12
ATOM     11  C   LIG    1        3.321  -1.708   1.116  0.00  0.00    +0.131 C 
ATOM     12  N   LIG    1        3.986  -0.602   0.416  0.00  0.00    -0.315 N 
BRANCH  12  13
ATOM     13  C   LIG    1        5.474  -0.661   0.407  0.00  0.00    +0.079 C 
ATOM     14  C   LIG    1        6.079  -1.801  -0.423  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1        6.818  -1.360  -1.677  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1        7.619  -0.209  -1.427  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1        6.797   0.914  -1.121  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1        6.118   0.721   0.221  0.00  0.00    +0.050 C 
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1       -1.750   2.471  -0.443  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.228   2.542   1.012  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.188   3.167   1.791  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.586   3.413   2.645  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.583   1.179   1.650  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.777   0.548   1.065  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.626  -0.048   2.117  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.807  -0.827   1.577  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.806  -1.315   0.258  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -6.897  -2.058  -0.211  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.972  -2.339   0.631  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.968  -1.875   1.945  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.661  -0.984  -0.664  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.890  -1.126   2.417  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.417  -0.506   0.097  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8