REMARK  Name = BDB034659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.209  -0.290   0.839  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.085  -0.547   0.027  0.00  0.00    +0.267 C 
ATOM      3  O   LIG    1       -0.196  -0.915  -1.147  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -2.560  -0.444   0.256  0.00  0.00    +0.091 C 
ATOM      5  C   LIG    1       -2.887   0.659  -0.767  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -4.196   0.305  -1.480  0.00  0.00    +0.076 C 
ATOM      7  C   LIG    1       -4.043  -1.009  -2.272  0.00  0.00    +0.092 C 
ATOM      8  N   LIG    1       -3.083  -1.964  -1.718  0.00  0.00    -0.314 NA
ATOM      9  H   LIG    1       -3.289  -2.916  -2.011  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -2.888  -1.873  -0.274  0.00  0.00    +0.103 C 
BRANCH   6  11
ATOM     11  C   LIG    1       -4.717   1.411  -2.334  0.00  0.00    +0.176 A 
ATOM     12  N   LIG    1       -3.974   2.055  -3.246  0.00  0.00    -0.061 NA
ATOM     13  O   LIG    1       -4.866   2.985  -3.785  0.00  0.00    -0.341 OA
ATOM     14  C   LIG    1       -6.045   2.799  -3.139  0.00  0.00    +0.343 A 
ATOM     15  N   LIG    1       -6.016   1.849  -2.238  0.00  0.00    -0.199 NA
ENDBRANCH   6  11
ENDBRANCH   1   4
BRANCH   2  16
ATOM     16  C   LIG    1        1.320  -0.351   0.533  0.00  0.00    +0.146 A 
ATOM     17  C   LIG    1        2.324   0.075  -0.360  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1        3.612   0.232   0.177  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        3.910  -0.080   1.514  0.00  0.00    -0.024 A 
ATOM     20  C   LIG    1        2.829  -0.533   2.272  0.00  0.00    +0.115 A 
ATOM     21  N   LIG    1        1.558  -0.675   1.830  0.00  0.00    -0.248 NA
BRANCH  19  22
ATOM     22  C   LIG    1        5.287   0.053   2.134  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1        6.537  -0.218   1.333  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        6.209   1.186   1.752  0.00  0.00    +0.009 C 
ENDBRANCH  19  22
BRANCH  17  25
ATOM     25  N   LIG    1        2.041   0.447  -1.704  0.00  0.00    -0.335 N 
ATOM     26  H   LIG    1        1.176  -0.033  -2.006  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.009   0.573  -2.762  0.00  0.00    +0.122 C 
ATOM     28  C   LIG    1        2.386   0.778  -4.151  0.00  0.00    +0.184 C 
ATOM     29  O   LIG    1        3.156  -0.328  -4.693  0.00  0.00    -0.376 OA
ATOM     30  C   LIG    1        3.487  -0.762  -3.348  0.00  0.00    +0.184 C 
ENDBRANCH  25  27
ENDBRANCH  17  25
ENDBRANCH   2  16
BRANCH   1  31
ATOM     31  C   LIG    1       -1.126   0.370   2.150  0.00  0.00    +0.111 C 
BRANCH  31  33
ATOM     32  C   LIG    1       -0.686   0.120   4.610  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -1.147  -0.607   3.344  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1       -2.528  -1.219   3.584  0.00  0.00    +0.009 C 
ENDBRANCH  31  33
ENDBRANCH   1  31
TORSDOF 8