REMARK  Name = BDB017133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.557   0.800   1.378  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -3.959   0.780   0.018  0.00  0.00    -0.002 A 
ATOM      3  C   LIG    1       -2.957   0.728  -0.984  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.322   0.720  -2.340  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -4.662   0.757  -2.723  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -5.656   0.805  -1.754  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.601   0.685  -0.618  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.228   0.678   0.726  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -5.310   0.817  -0.402  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -2.201   0.755   1.722  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -5.309   0.928   3.344  0.00  0.00    -0.002 C 
ATOM     12  C   LIG    1       -4.512   0.869   2.449  0.00  0.00    -0.046 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -6.284   1.002   4.431  0.00  0.00    -0.318 N 
ATOM     14  H   LIG    1       -6.039   0.436   5.241  0.00  0.00    +0.152 HD
ATOM     15  H   LIG    1       -6.460   1.951   4.757  0.00  0.00    +0.152 HD
ENDBRANCH  11  13
ENDBRANCH   1  12
BRANCH   8  16
ATOM     16  C   LIG    1        0.193   0.645   1.149  0.00  0.00    +0.167 C 
ATOM     17  O   LIG    1        0.559   1.482   1.975  0.00  0.00    -0.292 OA
BRANCH  16  18
ATOM     18  C   LIG    1        1.170  -0.389   0.594  0.00  0.00    +0.074 C 
ATOM     19  C   LIG    1        2.027   0.232  -0.518  0.00  0.00    +0.095 C 
ATOM     20  N   LIG    1        3.044  -0.676  -1.079  0.00  0.00    -0.301 NA
ATOM     21  C   LIG    1        2.436  -1.946  -1.503  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1        1.631  -2.646  -0.406  0.00  0.00    +0.016 C 
ATOM     23  C   LIG    1        0.554  -1.721   0.156  0.00  0.00    +0.014 C 
BRANCH  20  24
ATOM     24  C   LIG    1        4.197  -0.895  -0.194  0.00  0.00    +0.088 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.028   0.352  -0.078  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1        5.787   0.886  -1.267  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.535   0.274  -0.116  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   8  16
TORSDOF 6