REMARK  Name = BDB008976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.665  -1.121   0.375  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -1.359  -0.065   1.144  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1       -0.145  -0.031   1.735  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1        0.825  -1.013   1.576  0.00  0.00    -0.023 A 
ATOM      5  C   LIG    1        0.491  -2.107   0.778  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.762  -2.160   0.167  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -4.046   0.593   0.704  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.965  -0.341  -0.082  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -2.908  -1.211  -0.265  0.00  0.00    -0.266 N 
ATOM     10  H   LIG    1       -3.062  -2.026  -0.839  0.00  0.00    +0.157 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -5.154  -0.645  -0.923  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -5.022  -1.021  -2.268  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -6.162  -1.298  -3.026  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -7.428  -1.197  -2.448  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.562  -0.806  -1.114  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.428  -0.524  -0.353  0.00  0.00    +0.013 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  17
ATOM     17  C   LIG    1        2.154  -0.931   2.278  0.00  0.00    +0.094 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.855   0.414   2.116  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1        3.481   0.774   0.803  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        3.462  -0.182  -0.357  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1        4.463   0.185  -1.458  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        4.418   1.677  -1.766  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        4.735   2.505  -0.518  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        4.072   1.980   0.728  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        4.093   2.875   1.914  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1        4.640   3.972   1.884  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1        3.474   2.396   3.038  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1        3.468   2.997   3.856  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1        2.858   1.190   3.159  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 4