REMARK  Name = BDB026840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.465  -1.250  -0.528  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.051  -2.359  -1.384  0.00  0.00    +0.014 C 
ATOM      3  C   LIG    1       -0.622  -3.807  -1.300  0.00  0.00    +0.006 C 
ATOM      4  C   LIG    1       -0.264  -2.988  -2.511  0.00  0.00    +0.006 C 
ENDBRANCH   1   2
BRANCH   1   6
ATOM      5  O   LIG    1       -1.000  -1.620   1.795  0.00  0.00    -0.290 OA
ATOM      6  C   LIG    1       -1.318  -1.042   0.748  0.00  0.00    +0.182 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -2.500  -0.164   0.721  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -3.154   0.556  -0.344  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -4.236   1.241   0.224  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -5.106   2.056  -0.512  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -4.880   2.184  -1.882  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.823   1.519  -2.489  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -4.250   0.951   1.566  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -4.929   1.309   2.224  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -2.961   0.708  -1.738  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -3.222   0.111   1.873  0.00  0.00    +0.095 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  N   LIG    1        0.939  -1.569  -0.154  0.00  0.00    -0.306 NA
ATOM     18  H   LIG    1        0.884  -2.235   0.624  0.00  0.00    +0.123 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.665  -0.378   0.304  0.00  0.00    +0.086 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.085  -0.759   0.743  0.00  0.00    +0.050 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.863   0.446   1.217  0.00  0.00    -0.046 A 
ATOM     22  C   LIG    1        4.649   1.182   0.319  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        5.352   2.308   0.755  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.268   2.703   2.088  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        6.134   4.091   2.623  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        4.487   1.984   2.990  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.784   0.859   2.555  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7