REMARK  Name = BDB006831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.055  -1.115   1.002  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        1.600   0.033   0.447  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1        2.802   0.102  -0.285  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        3.033   1.416  -0.702  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        4.155   1.754  -1.444  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        5.057   0.742  -1.774  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        4.825  -0.576  -1.353  0.00  0.00    +0.043 A 
ATOM      8 CL   LIG    1        5.958  -1.804  -1.772  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.966   2.339  -0.208  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1        3.695  -0.907  -0.602  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        0.961   1.360   0.410  0.00  0.00    +0.118 C 
ATOM     12  O   LIG    1        1.574  -2.233   0.942  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -0.277  -0.952   1.753  0.00  0.00    +0.181 C 
BRANCH  13  20
ATOM     14  C   LIG    1       -3.966   1.487   0.577  0.00  0.00    +0.025 C 
ATOM     15  C   LIG    1       -3.817  -0.037   0.627  0.00  0.00    +0.065 C 
ATOM     16  N   LIG    1       -3.659  -0.524  -0.765  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1       -2.998   0.104  -1.228  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -3.016  -1.848  -0.750  0.00  0.00    +0.096 C 
ATOM     19  C   LIG    1       -1.604  -1.818  -0.109  0.00  0.00    +0.100 C 
ATOM     20  N   LIG    1       -1.400  -0.687   0.831  0.00  0.00    -0.291 NA
ATOM     21  C   LIG    1       -2.649  -0.446   1.577  0.00  0.00    +0.103 C 
ENDBRANCH  13  20
ENDBRANCH   1  13
TORSDOF 2