REMARK  Name = BDB026801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.497   1.113   0.103  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.311   2.384  -0.127  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.714   3.212   0.932  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.435   4.383   0.688  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.750   4.752  -0.618  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.333   3.958  -1.683  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.611   2.788  -1.441  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.633   0.617   2.490  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -0.974   0.304   1.344  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.792  -0.904   1.144  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.688  -1.296   0.090  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.163  -2.575   0.403  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.051  -3.286  -0.415  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.490  -2.673  -1.589  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.063  -1.394  -1.923  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -2.612  -2.935   1.608  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -2.795  -3.807   2.087  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -3.172  -0.699  -1.095  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -1.805  -1.938   2.069  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.939   1.484   0.230  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        1.168   2.153  -0.504  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.823   0.319   0.136  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.286   0.748   0.307  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.226  -0.429   0.200  0.00  0.00    -0.045 A 
ATOM     25  C   LIG    1        4.480  -1.236   1.319  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        5.333  -2.335   1.211  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        5.636  -3.320   2.589  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        5.939  -2.643  -0.005  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.689  -1.847  -1.123  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        4.835  -0.747  -1.022  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7