REMARK  Name = BDB047617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.881  -2.152  -1.939  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1        3.838  -1.104  -0.824  0.00  0.00    +0.121 C 
ATOM      3  C   LIG    1        2.419  -0.649  -0.591  0.00  0.00    +0.144 A 
ATOM      4  N   LIG    1        1.362  -1.392  -0.315  0.00  0.00    -0.224 NA
ATOM      5  C   LIG    1        0.305  -0.505  -0.169  0.00  0.00    +0.148 A 
ATOM      6  C   LIG    1        0.748   0.796  -0.345  0.00  0.00    +0.166 A 
ATOM      7  N   LIG    1        0.033   1.926  -0.273  0.00  0.00    -0.208 NA
ATOM      8  C   LIG    1       -1.262   1.678   0.003  0.00  0.00    +0.167 A 
ATOM      9  N   LIG    1       -1.820   0.460   0.203  0.00  0.00    -0.210 NA
ATOM     10  C   LIG    1       -1.070  -0.681   0.126  0.00  0.00    +0.153 A 
ATOM     11  N   LIG    1        2.078   0.680  -0.610  0.00  0.00    -0.308 N 
ATOM     12  C   LIG    1        3.020   1.739  -0.886  0.00  0.00    +0.153 C 
ATOM     13  C   LIG    1        4.427   1.240  -0.599  0.00  0.00    +0.182 C 
ATOM     14  O   LIG    1        4.651   0.004  -1.284  0.00  0.00    -0.365 OA
ATOM     15  C   LIG    1        4.440  -1.688   0.459  0.00  0.00    +0.049 C 
ENDROOT
BRANCH   8  16
ATOM     16  C   LIG    1       -2.152   2.833   0.104  0.00  0.00    +0.056 A 
ATOM     17  C   LIG    1       -3.509   2.734   0.348  0.00  0.00    +0.127 A 
ATOM     18  N   LIG    1       -4.357   3.785   0.451  0.00  0.00    -0.222 NA
ATOM     19  C   LIG    1       -3.824   4.997   0.284  0.00  0.00    +0.213 A 
ATOM     20  N   LIG    1       -2.529   5.230   0.063  0.00  0.00    -0.222 NA
ATOM     21  C   LIG    1       -1.728   4.141  -0.030  0.00  0.00    +0.127 A 
BRANCH  19  22
ATOM     22  N   LIG    1       -4.661   6.085   0.397  0.00  0.00    -0.327 N 
ATOM     23  H   LIG    1       -5.466   5.839   0.954  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -4.129   6.897   0.676  0.00  0.00    +0.145 HD
ENDBRANCH  19  22
ENDBRANCH   8  16
BRANCH  10  25
ATOM     25  N   LIG    1       -1.696  -1.901   0.316  0.00  0.00    -0.309 N 
ATOM     26  C   LIG    1       -3.001  -1.950   0.985  0.00  0.00    +0.134 C 
ATOM     27  C   LIG    1       -3.001  -3.061   2.049  0.00  0.00    +0.178 C 
ATOM     28  O   LIG    1       -2.710  -4.369   1.535  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -1.886  -4.351   0.360  0.00  0.00    +0.178 C 
ATOM     30  C   LIG    1       -0.928  -3.150   0.287  0.00  0.00    +0.134 C 
ENDBRANCH  10  25
TORSDOF 3