REMARK  Name = BDB062296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.568   4.623  -0.446  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.175   3.371  -0.488  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1        0.514   2.131  -0.464  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.216   0.933  -0.468  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.497  -0.278  -0.303  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.896  -0.331  -0.204  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.597   0.867  -0.275  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.704   0.957  -0.611  0.00  0.00    +0.084 A 
ATOM      9  N   LIG    1       -2.326  -0.272  -0.830  0.00  0.00    -0.337 N 
ATOM     10  H   LIG    1       -1.726  -0.993  -1.214  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1       -3.481  -0.807  -0.121  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1       -4.497   0.267   0.247  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1       -4.609   1.288  -0.872  0.00  0.00    +0.231 C 
ATOM     14  O   LIG    1       -3.705   2.368  -0.684  0.00  0.00    -0.485 OA
ATOM     15  C   LIG    1       -2.341   2.154  -0.574  0.00  0.00    +0.207 A 
ATOM     16  C   LIG    1        1.917   2.082  -0.389  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -1.559   3.437  -0.447  0.00  0.00    +0.295 A 
ATOM     18  O   LIG    1       -2.165   4.506  -0.342  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  19
ATOM     19  C   LIG    1       -2.987  -1.671   1.015  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -3.702  -1.808   2.339  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -2.385  -1.083   2.270  0.00  0.00    +0.005 C 
ENDBRANCH  11  19
BRANCH   6  22
ATOM     22  N   LIG    1        2.521  -1.588  -0.094  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        1.951  -2.263   0.413  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.831  -2.015  -0.414  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        4.478  -3.020   0.331  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        5.779  -3.358  -0.018  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1        6.690  -4.568   0.804  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1        6.473  -2.787  -1.028  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1        5.839  -1.830  -1.729  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        4.545  -1.416  -1.461  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1        3.816  -3.675   1.413  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        3.219  -4.184   2.268  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 4