REMARK  Name = BDB042832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.221  -0.607  -0.344  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        0.114  -0.804  -0.315  0.00  0.00    -0.232 NA
ATOM      3  C   LIG    1        0.899   0.174  -0.796  0.00  0.00    +0.136 A 
ATOM      4  N   LIG    1        0.444   1.336  -1.291  0.00  0.00    -0.217 NA
ATOM      5  C   LIG    1       -0.884   1.529  -1.296  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1       -1.760   0.562  -0.846  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.393  -0.037  -0.781  0.00  0.00    +0.074 C 
ATOM      8  C   LIG    1        2.893  -0.227   0.649  0.00  0.00    +0.119 C 
ATOM      9  N   LIG    1        4.337  -0.510   0.760  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        4.866  -0.521   2.067  0.00  0.00    +0.213 C 
ATOM     11  O   LIG    1        5.716  -1.319   2.457  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1        4.339   0.530   3.016  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        4.896  -1.499  -0.197  0.00  0.00    +0.073 C 
ATOM     14  C   LIG    1        6.426  -1.392  -0.347  0.00  0.00    +0.028 C 
ATOM     15  C   LIG    1        4.313  -1.355  -1.618  0.00  0.00    +0.023 C 
ATOM     16  C   LIG    1        2.798  -1.236  -1.633  0.00  0.00    +0.014 C 
ENDBRANCH   3   7
BRANCH   1  19
ATOM     17  C   LIG    1       -4.066  -2.619   1.197  0.00  0.00    +0.139 A 
ATOM     18  C   LIG    1       -3.324  -1.538   0.716  0.00  0.00    +0.058 A 
ATOM     19  C   LIG    1       -2.039  -1.716   0.177  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -1.566  -3.030   0.172  0.00  0.00    +0.121 A 
ATOM     21  N   LIG    1       -2.253  -4.110   0.625  0.00  0.00    -0.259 NA
ATOM     22  C   LIG    1       -3.486  -3.877   1.126  0.00  0.00    +0.156 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -6.070  -3.388   2.207  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -5.299  -2.307   1.693  0.00  0.00    -0.494 OA
ENDBRANCH  17  24
ENDBRANCH   1  19
BRANCH   5  25
ATOM     25  N   LIG    1       -1.317   2.741  -1.842  0.00  0.00    -0.299 N 
ATOM     26  H   LIG    1       -0.503   3.253  -2.171  0.00  0.00    +0.154 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.393   3.585  -1.514  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1       -3.148   3.465  -0.344  0.00  0.00    +0.061 A 
ATOM     29  C   LIG    1       -4.219   4.324  -0.107  0.00  0.00    +0.125 A 
ATOM     30  F   LIG    1       -4.924   4.196   1.025  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -4.568   5.312  -1.019  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1       -3.829   5.446  -2.190  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -2.752   4.587  -2.433  0.00  0.00    +0.023 A 
ENDBRANCH  25  27
ENDBRANCH   5  25
TORSDOF 5