REMARK  Name = BDB062332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.286   0.487  -1.475  0.00  0.00    -0.346 N 
ATOM      2  C   LIG    1        2.856  -0.734  -1.187  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        1.877  -1.707  -1.415  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        2.211  -3.052  -1.196  0.00  0.00    +0.121 A 
ATOM      5  N   LIG    1        3.447  -3.403  -0.767  0.00  0.00    -0.263 NA
ATOM      6  C   LIG    1        4.360  -2.432  -0.558  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1        0.688  -1.033  -1.844  0.00  0.00    -0.003 A 
ATOM      8  C   LIG    1        4.137  -1.077  -0.747  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        0.989   0.317  -1.877  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        2.946   1.780  -1.383  0.00  0.00    +0.124 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.857   2.367   0.021  0.00  0.00    +0.049 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.562   3.716   0.096  0.00  0.00    +0.161 C 
BRANCH  12  14
ATOM     13  C   LIG    1        4.244   3.829   2.374  0.00  0.00    +0.193 C 
ATOM     14  O   LIG    1        3.372   4.330   1.369  0.00  0.00    -0.383 OA
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   7  15
ATOM     15  C   LIG    1       -0.630  -1.656  -2.198  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.569  -1.489  -1.088  0.00  0.00    -0.292 N 
ATOM     17  C   LIG    1       -2.369  -0.338  -1.089  0.00  0.00    +0.246 C 
ATOM     18  O   LIG    1       -2.407   0.430  -2.056  0.00  0.00    -0.273 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -3.200  -0.050   0.181  0.00  0.00    +0.217 C 
ATOM     20  O   LIG    1       -4.337  -0.927   0.240  0.00  0.00    -0.365 OA
ATOM     21  C   LIG    1       -5.514  -0.312   0.777  0.00  0.00    +0.176 C 
ATOM     22  C   LIG    1       -5.187   0.692   1.890  0.00  0.00    +0.109 C 
ATOM     23  N   LIG    1       -4.377   1.825   1.412  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -3.741   2.115   2.155  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -3.606   1.444   0.209  0.00  0.00    +0.122 C 
ENDBRANCH  17  19
BRANCH  16  26
ATOM     26  C   LIG    1       -1.387  -2.334   0.071  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1       -2.474  -3.260   0.555  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -1.226  -3.833  -0.034  0.00  0.00    +0.024 C 
ENDBRANCH  16  26
ENDBRANCH  15  16
ENDBRANCH   7  15
TORSDOF 8