REMARK  Name = BDB022248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.684   0.987  -0.285  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -0.202   1.060  -0.201  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.359   2.323  -0.030  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        1.751   2.426   0.082  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.562   1.286   0.007  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.008   0.022  -0.201  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.493   3.453   0.001  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        0.061   4.787   0.153  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1       -1.872   3.315  -0.168  0.00  0.00    +0.350 A 
ATOM     10  O   LIG    1       -2.607   4.301  -0.198  0.00  0.00    -0.244 OA
ATOM     11  C   LIG    1        0.615  -0.077  -0.304  0.00  0.00    +0.036 A 
ATOM     12  N   LIG    1       -2.409   2.062  -0.284  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.298  -0.250  -0.362  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -1.810  -1.039   0.040  0.00  0.00    +0.148 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.240  -0.342   1.114  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1       -3.747  -0.420  -0.329  0.00  0.00    +0.072 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.044  -1.720  -1.042  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -3.760  -3.072  -0.427  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -5.182  -2.645  -0.677  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        2.772  -1.158  -0.272  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        2.450  -1.785  -1.010  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.099  -1.439   0.135  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        4.899  -2.336  -0.595  0.00  0.00    +0.099 A 
ATOM     24 CL   LIG    1        4.255  -3.111  -2.005  0.00  0.00    -0.078 Cl
ATOM     25  C   LIG    1        6.198  -2.567  -0.150  0.00  0.00    +0.149 A 
ATOM     26 CL   LIG    1        7.293  -3.631  -0.948  0.00  0.00    -0.060 Cl
ATOM     27  N   LIG    1        6.742  -1.990   0.946  0.00  0.00    -0.242 NA
ATOM     28  C   LIG    1        5.952  -1.149   1.638  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        4.648  -0.847   1.278  0.00  0.00    +0.044 A 
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5