REMARK  Name = BDB022295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.911   0.998   0.295  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -0.438   1.107   0.139  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.119   2.376   0.274  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        1.508   2.510   0.161  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.316   1.397  -0.099  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.760   0.128  -0.275  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.738   3.480   0.497  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -0.192   4.822   0.615  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1       -2.123   3.313   0.550  0.00  0.00    +0.350 A 
ATOM     10  O   LIG    1       -2.871   4.278   0.689  0.00  0.00    -0.244 OA
ATOM     11  C   LIG    1        0.371  -0.004  -0.150  0.00  0.00    +0.036 A 
ATOM     12  N   LIG    1       -2.647   2.051   0.466  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.503  -0.253   0.262  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -1.944  -1.030   0.586  0.00  0.00    +0.148 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.216  -0.476   1.990  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1       -3.929  -0.457   0.489  0.00  0.00    +0.072 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.409  -1.744  -0.146  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -3.652  -3.051  -0.063  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -3.765  -2.333  -1.381  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        2.532  -1.025  -0.516  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        2.042  -1.712  -1.088  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.893  -1.311  -0.255  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        4.645  -2.144  -1.105  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        5.986  -2.347  -0.806  0.00  0.00    +0.148 A 
ATOM     25 CL   LIG    1        7.024  -3.341  -1.756  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        6.624  -1.796   0.251  0.00  0.00    -0.242 NA
ATOM     27  C   LIG    1        5.891  -1.005   1.054  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1        4.548  -0.735   0.842  0.00  0.00    +0.044 A 
BRANCH  23  29
ATOM     29  C   LIG    1        4.048  -2.765  -2.244  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        3.501  -3.256  -3.142  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6