REMARK  Name = BDB016097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.557   2.039   0.355  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.145   0.928   0.060  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.494   0.958   0.138  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -2.154   2.143   0.473  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.340   3.227   0.762  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.005   3.205   0.723  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.080   0.642  -0.116  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.681   0.746  -0.041  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.030   1.958   0.278  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.845   3.078   0.520  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.237   2.996   0.447  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.850   1.784   0.130  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.303  -3.126  -0.432  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.136  -2.290  -0.570  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.071  -2.748  -1.252  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.199  -1.738  -1.179  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.697  -0.631  -0.449  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.961  -1.033  -0.067  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.590   2.324   0.494  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.430   2.070  -0.569  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.685   2.399  -0.148  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.909   2.294  -0.904  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.720   2.873   1.112  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.441   2.837   1.497  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.174  -0.232  -0.135  0.00  0.00    -0.314 N 
ATOM     26  C   LIG    1       -1.398  -1.337  -0.717  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1       -2.257  -2.567  -0.416  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1       -2.776  -2.245   0.981  0.00  0.00    +0.026 C 
ATOM     29  C   LIG    1       -3.072  -0.746   0.909  0.00  0.00    +0.107 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -1.479  -3.869  -0.484  0.00  0.00    +0.161 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -1.040  -4.084  -1.818  0.00  0.00    -0.395 OA
ATOM     32  H   LIG    1       -0.523  -4.909  -1.822  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH   3  25
TORSDOF 6