REMARK  Name = BDB019969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.264   0.022  -1.437  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.428  -1.368  -1.458  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.678  -2.223  -1.346  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -1.958  -1.657  -1.228  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.144  -0.265  -1.219  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.020   0.568  -1.335  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.501  -3.679  -1.357  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.538  -4.465  -0.193  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -0.744  -3.855   1.165  0.00  0.00    +0.066 C 
ATOM     10  N   LIG    1       -0.389  -5.817  -0.209  0.00  0.00    -0.260 NA
ATOM     11  C   LIG    1       -0.182  -6.411  -1.403  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1       -0.119  -5.725  -2.600  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -0.281  -4.344  -2.572  0.00  0.00    +0.012 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     14  N   LIG    1        1.393   2.132  -0.974  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        0.642   2.333  -0.324  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        1.477   0.880  -1.540  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        2.492   0.449  -2.076  0.00  0.00    -0.270 OA
BRANCH  14  18
ATOM     18  C   LIG    1        2.560   2.985  -0.868  0.00  0.00    +0.160 C 
BRANCH  18  24
ATOM     19  C   LIG    1        5.960   0.502   1.845  0.00  0.00    +0.066 C 
ATOM     20  C   LIG    1        4.901   1.552   1.697  0.00  0.00    +0.042 A 
ATOM     21  N   LIG    1        4.581   2.272   2.791  0.00  0.00    -0.241 NA
ATOM     22  C   LIG    1        3.619   3.193   2.633  0.00  0.00    +0.221 A 
ATOM     23  N   LIG    1        2.956   3.462   1.499  0.00  0.00    -0.239 NA
ATOM     24  C   LIG    1        3.314   2.734   0.416  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        4.286   1.750   0.476  0.00  0.00    +0.048 A 
ENDBRANCH  18  24
ENDBRANCH  14  18
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -3.533   0.324  -1.083  0.00  0.00    +0.159 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.659   1.096   0.137  0.00  0.00    -0.313 N 
ATOM     28  C   LIG    1       -3.487   2.482   0.248  0.00  0.00    +0.204 A 
ATOM     29  N   LIG    1       -3.289   3.365  -0.664  0.00  0.00    -0.268 NA
ATOM     30  H   LIG    1       -3.302   2.928  -1.583  0.00  0.00    +0.190 HD
ATOM     31  N   LIG    1       -3.558   2.726   1.622  0.00  0.00    -0.320 N 
ATOM     32  C   LIG    1       -3.325   4.023   2.207  0.00  0.00    +0.152 C 
ATOM     33  C   LIG    1       -3.721   1.534   2.309  0.00  0.00    +0.106 A 
ATOM     34  C   LIG    1       -3.787   0.544   1.410  0.00  0.00    +0.107 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6