REMARK  Name = BDB056339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.802   0.216   0.833  0.00  0.00    +0.176 C 
ATOM      2  C   LIG    1       -0.405  -0.822  -0.228  0.00  0.00    +0.242 C 
ATOM      3  O   LIG    1       -1.012  -0.899  -1.305  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.787  -1.517  -0.016  0.00  0.00    -0.264 N 
ATOM      5  C   LIG    1        0.852  -2.549   1.011  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -0.037  -2.597   2.125  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -0.035  -3.729   2.971  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        0.888  -4.756   2.816  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        1.817  -4.677   1.795  0.00  0.00    +0.002 A 
ATOM     10  N   LIG    1       -0.991  -1.597   2.450  0.00  0.00    -0.340 N 
ATOM     11  H   LIG    1       -1.324  -1.714   3.405  0.00  0.00    +0.146 HD
ATOM     12  C   LIG    1        1.793  -3.594   0.908  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -0.478  -0.244   2.239  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -2.681   1.526  -0.102  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1       -2.239   0.483   0.684  0.00  0.00    -0.301 N 
ATOM     16  H   LIG    1       -2.829  -0.337   0.756  0.00  0.00    +0.150 HD
ATOM     17  O   LIG    1       -1.939   2.416  -0.518  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1       -4.189   1.475  -0.437  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1       -4.334   0.874  -1.835  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -6.133   2.955  -0.669  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1       -4.737   2.838  -0.293  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1       -4.161   3.473  -0.851  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH   4  23
ATOM     23  C   LIG    1        1.699  -1.519  -1.169  0.00  0.00    +0.149 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.904  -0.614  -0.931  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        2.843   0.805  -1.096  0.00  0.00    -0.013 A 
ATOM     26  C   LIG    1        3.990   1.579  -0.776  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        3.961   2.979  -0.899  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        2.817   3.638  -1.339  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        1.691   2.903  -1.676  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.162   0.951  -0.336  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        5.224  -0.431  -0.207  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        1.710   1.510  -1.567  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1        4.106  -1.205  -0.500  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 5