REMARK  Name = BDB020952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.414   0.476   1.067  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        2.366  -0.485   0.648  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        0.955   0.130   0.690  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.848   1.357  -0.114  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.322   1.853  -0.663  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.346   2.886  -1.332  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        2.089   2.136  -0.260  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        3.050   1.905   0.915  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.191  -2.685   0.678  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        6.498  -1.422   0.267  0.00  0.00    -0.046 A 
ATOM     11  C   LIG    1        5.278  -1.056   0.844  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        4.657   0.144   0.482  0.00  0.00    +0.122 A 
ATOM     13  N   LIG    1        5.226   0.977  -0.414  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1        6.413   0.620  -0.953  0.00  0.00    +0.113 A 
ATOM     15  C   LIG    1        7.082  -0.552  -0.648  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   5  16
ATOM     16  C   LIG    1       -1.584   1.045  -0.421  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.832   1.787  -0.889  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.023   0.871  -0.798  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -4.335   0.178  -1.937  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -3.815   0.317  -2.792  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -5.376  -0.712  -2.013  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1       -5.640  -1.318  -3.045  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -6.150  -0.892  -0.774  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -5.755  -0.151   0.343  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1       -6.473  -0.302   1.531  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -7.562  -1.177   1.597  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -7.944  -1.910   0.473  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.237  -1.770  -0.721  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1       -4.665   0.736   0.316  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   5  16
TORSDOF 4