REMARK  Name = BDB001022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.462  -0.335  -0.746  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.370  -0.665   0.074  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        0.850  -0.048  -0.154  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        2.131  -0.181   0.514  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.017   0.633  -0.077  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        2.416   1.406  -1.217  0.00  0.00    +0.073 C 
ATOM      7  C   LIG    1        4.389   0.683   0.416  0.00  0.00    -0.007 A 
ATOM      8  C   LIG    1        4.734  -0.139   1.510  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        6.035  -0.132   2.024  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        7.000   0.695   1.449  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.666   1.511   0.366  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.699  -1.026   2.126  0.00  0.00    +0.257 A 
ATOM     13  O   LIG    1        3.953  -1.756   3.077  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        5.367   1.507  -0.150  0.00  0.00    +0.009 A 
ATOM     15  N   LIG    1        2.436  -0.981   1.567  0.00  0.00    -0.321 N 
ATOM     16  H   LIG    1        1.740  -1.581   1.985  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        1.001   0.892  -1.186  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1       -0.061   1.229  -2.004  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -1.295   0.608  -1.777  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1       -3.900  -0.822  -1.117  0.00  0.00    +0.231 C 
ATOM     21  N   LIG    1       -2.682  -0.989  -0.473  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1       -2.671  -1.641   0.302  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -4.129  -0.057  -2.050  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -5.006  -1.713  -0.527  0.00  0.00    +0.180 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -5.171  -0.523   1.612  0.00  0.00    +0.105 C 
ATOM     26  N   LIG    1       -5.883  -1.025   0.441  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1       -6.665   0.040  -0.188  0.00  0.00    +0.105 C 
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH   1  21
TORSDOF 3