REMARK  Name = BDB014876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.679   5.466  -1.103  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.426   4.682  -0.808  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.578   3.408  -0.277  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.670   2.711   0.082  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1        0.429   1.260   0.298  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.336   0.191   0.526  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.670  -0.957   0.684  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -0.638  -0.647   0.541  0.00  0.00    -0.257 N 
ATOM      9  C   LIG    1       -0.824   0.687   0.327  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -2.090   1.429   0.112  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -1.830   2.930   0.352  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        0.679   5.171  -1.046  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.626  -1.726   0.662  0.00  0.00    +0.154 C 
ATOM     14  C   LIG    1       -2.342  -1.676   2.012  0.00  0.00    +0.039 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -2.530  -1.763  -0.542  0.00  0.00    +0.087 A 
ATOM     16  N   LIG    1       -3.834  -1.445  -0.472  0.00  0.00    -0.174 NA
ATOM     17  N   LIG    1       -4.285  -1.617  -1.728  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -5.675  -1.368  -2.024  0.00  0.00    +0.172 C 
ATOM     19  C   LIG    1       -3.321  -2.023  -2.600  0.00  0.00    +0.108 A 
ATOM     20  C   LIG    1       -2.167  -2.132  -1.864  0.00  0.00    +0.046 A 
ENDBRANCH  13  15
ENDBRANCH   8  13
BRANCH   6  21
ATOM     21  N   LIG    1        2.678   0.387   0.564  0.00  0.00    -0.298 N 
ATOM     22  H   LIG    1        3.015   1.322   0.375  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.754  -0.500   0.799  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        3.596  -1.855   1.114  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1        4.702  -2.696   1.330  0.00  0.00    -0.049 A 
ATOM     26  C   LIG    1        4.490  -4.135   1.699  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        5.991  -2.164   1.253  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.173  -0.820   0.941  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.065   0.001   0.714  0.00  0.00    +0.023 A 
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 4