REMARK  Name = BDB034643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.469  -0.398  -0.212  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        0.214  -0.593  -0.820  0.00  0.00    +0.146 A 
ATOM      3  N   LIG    1       -0.125  -1.705  -1.527  0.00  0.00    -0.248 NA
ATOM      4  C   LIG    1        0.795  -2.695  -1.572  0.00  0.00    +0.115 A 
ATOM      5  C   LIG    1        2.045  -2.661  -0.956  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        2.360  -1.478  -0.270  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -0.790   0.519  -0.801  0.00  0.00    +0.267 C 
ATOM      8  N   LIG    1       -2.150   0.289  -0.496  0.00  0.00    -0.292 N 
ATOM      9  O   LIG    1       -0.356   1.652  -1.039  0.00  0.00    -0.268 OA
BRANCH   8  10
ATOM     10  C   LIG    1       -3.084   1.410  -0.763  0.00  0.00    +0.090 C 
ATOM     11  C   LIG    1       -4.250   1.571   0.238  0.00  0.00    +0.103 C 
ATOM     12  N   LIG    1       -5.104   2.744  -0.009  0.00  0.00    -0.314 NA
ATOM     13  H   LIG    1       -6.037   2.561   0.358  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -5.180   3.138  -1.415  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -4.986   1.973  -2.378  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1       -3.612   1.325  -2.210  0.00  0.00    +0.025 C 
ENDBRANCH   8  10
BRANCH   8  17
ATOM     17  C   LIG    1       -2.709  -1.017  -0.103  0.00  0.00    +0.111 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.791  -1.240   1.422  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1       -3.547  -2.540   1.709  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -1.419  -1.286   2.094  0.00  0.00    +0.009 C 
ENDBRANCH  17  18
ENDBRANCH   8  17
ENDBRANCH   2   7
BRANCH   5  21
ATOM     21  C   LIG    1        3.016  -3.811  -1.049  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1        2.603  -5.190  -0.589  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1        3.603  -4.411   0.208  0.00  0.00    +0.009 C 
ENDBRANCH   5  21
BRANCH   1  24
ATOM     24  N   LIG    1        1.781   0.778   0.525  0.00  0.00    -0.339 N 
ATOM     25  H   LIG    1        1.210   1.558   0.169  0.00  0.00    +0.146 HD
BRANCH  24  28
ATOM     26  C   LIG    1        4.391   2.871   0.807  0.00  0.00    +0.121 C 
ATOM     27  C   LIG    1        3.100   2.573   1.606  0.00  0.00    +0.054 C 
ATOM     28  C   LIG    1        3.089   1.178   0.948  0.00  0.00    +0.075 C 
ATOM     29  C   LIG    1        3.940   1.778  -0.191  0.00  0.00    +0.054 C 
BRANCH  26  31
ATOM     30  C   LIG    1        6.819   2.938   0.814  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1        5.626   2.620   1.517  0.00  0.00    -0.380 OA
ENDBRANCH  26  31
ENDBRANCH  24  28
ENDBRANCH   1  24
TORSDOF 8