REMARK  Name = BDB046910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.111  -1.476   0.576  0.00  0.00    -0.220 N 
ATOM      2  N   LIG    1       -1.540  -2.718   0.664  0.00  0.00    -0.173 NA
ATOM      3  C   LIG    1       -0.228  -2.507   0.645  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1        0.105  -1.146   0.546  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -1.119  -0.512   0.506  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1       -7.570   1.155   0.369  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -6.346   1.113   0.369  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1       -5.604  -0.158   0.473  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -4.199  -0.111   0.467  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -3.548  -1.350   0.568  0.00  0.00    +0.180 A 
ATOM     11  N   LIG    1       -4.246  -2.531   0.665  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1       -5.590  -2.510   0.666  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1       -3.530   1.129   0.361  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1       -4.224   2.209   0.271  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1       -6.317  -1.350   0.573  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1       -5.583   2.243   0.271  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -6.083   3.118   0.198  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1        1.464  -0.535   0.499  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.996  -0.416  -0.942  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.353   0.125  -1.094  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1        4.410  -0.722  -0.535  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1        5.168  -0.072   0.622  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1        5.771   1.272   0.217  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        4.913   2.015  -0.807  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1        3.459   1.548  -0.770  0.00  0.00    +0.084 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4