REMARK  Name = BDB001062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.218   0.300  -0.099  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.002  -0.379  -0.184  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.838  -0.465   0.937  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.414   0.116   2.143  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.203   0.809   2.217  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.612   0.915   1.092  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.591   1.058  -2.250  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.051   0.410  -1.312  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        2.287  -0.232  -1.345  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        3.201   0.112  -2.436  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        4.160  -1.036  -2.801  0.00  0.00    +0.103 C 
ATOM     12  N   LIG    1        4.866  -1.652  -1.654  0.00  0.00    -0.297 NA
ATOM     13  C   LIG    1        3.853  -2.065  -0.659  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        2.878  -0.956  -0.213  0.00  0.00    +0.123 C 
BRANCH  12  15
ATOM     15  C   LIG    1        5.885  -0.743  -1.106  0.00  0.00    +0.112 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.826  -1.407  -0.088  0.00  0.00    +0.171 C 
BRANCH  16  17
ATOM     17  O   LIG    1        7.871  -0.508   0.276  0.00  0.00    -0.394 OA
ATOM     18  H   LIG    1        8.446  -0.407  -0.503  0.00  0.00    +0.209 HD
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -3.156  -1.201   0.848  0.00  0.00    +0.093 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.331  -0.419   1.420  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1       -4.921   0.710   0.654  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1       -5.987   1.388   1.242  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -6.598   2.466   0.588  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1       -6.136   2.867  -0.664  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.070   2.193  -1.258  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -6.470   0.960   2.565  0.00  0.00    +0.272 A 
ATOM     27  O   LIG    1       -7.405   1.526   3.120  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -5.814  -0.104   3.132  0.00  0.00    -0.242 N 
ATOM     29  H   LIG    1       -6.135  -0.415   4.044  0.00  0.00    +0.192 HD
ATOM     30  C   LIG    1       -4.463   1.116  -0.605  0.00  0.00    +0.010 A 
ATOM     31  N   LIG    1       -4.770  -0.786   2.590  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6