REMARK  Name = BDB032343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.235   1.367  -0.183  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.559   0.830   0.819  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1        1.857   0.477   0.657  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1        2.431   0.651  -0.551  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        1.688   1.161  -1.618  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        0.352   1.523  -1.435  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.770   0.273  -0.753  0.00  0.00    -0.308 N 
ATOM      8  C   LIG    1        4.329  -0.505   0.376  0.00  0.00    +0.165 C 
ATOM      9  C   LIG    1        5.776  -0.804   0.199  0.00  0.00    +0.098 A 
ATOM     10  N   LIG    1        6.514  -0.152  -0.749  0.00  0.00    -0.262 N 
ATOM     11  N   LIG    1        7.816  -0.506  -0.775  0.00  0.00    -0.176 NA
ATOM     12  C   LIG    1        7.901  -1.427   0.193  0.00  0.00    +0.180 A 
ATOM     13  C   LIG    1        5.980   0.808  -1.692  0.00  0.00    +0.163 C 
ATOM     14  C   LIG    1        6.662  -1.638   0.824  0.00  0.00    +0.159 A 
ATOM     15  C   LIG    1        4.650   1.373  -1.190  0.00  0.00    +0.130 C 
BRANCH  14  16
ATOM     16  O   LIG    1        6.338  -2.458   1.832  0.00  0.00    -0.503 OA
ATOM     17  H   LIG    1        7.118  -2.965   2.116  0.00  0.00    +0.292 HD
ENDBRANCH  14  16
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -1.672   1.721   0.077  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.458   0.499   0.166  0.00  0.00    -0.339 N 
ATOM     20  H   LIG    1       -2.197  -0.165  -0.560  0.00  0.00    +0.146 HD
BRANCH  19  24
ATOM     21  C   LIG    1       -6.753  -1.839   0.293  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -6.031  -0.624   0.408  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -4.622  -0.661   0.244  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -3.857   0.548   0.320  0.00  0.00    +0.035 A 
ATOM     25  C   LIG    1       -4.519   1.739   0.656  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -5.899   1.778   0.825  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -4.037  -1.922   0.019  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1       -4.834  -3.048  -0.065  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1       -6.647   0.615   0.689  0.00  0.00    +0.012 A 
ATOM     30  N   LIG    1       -6.171  -3.026   0.056  0.00  0.00    -0.240 NA
BRANCH  21  31
ATOM     31  N   LIG    1       -8.150  -1.877   0.436  0.00  0.00    -0.343 N 
ATOM     32  H   LIG    1       -8.574  -1.268  -0.255  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       -8.398  -1.547   1.363  0.00  0.00    +0.144 HD
ENDBRANCH  21  31
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6