REMARK  Name = BDB017025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.165  -0.058   0.727  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        1.349   0.347   0.173  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.331  -0.308   0.893  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.746  -1.094   1.868  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.451  -0.918   1.745  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.776  -0.205   0.688  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        4.559  -0.730   1.665  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.897  -0.661   1.520  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.517  -0.084   0.432  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.707   0.451  -0.566  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.317   0.393  -0.444  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.363   1.070  -1.739  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        7.563   1.155  -1.921  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.485   1.558  -2.633  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.053   1.928  -3.341  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.162   0.364   0.326  0.00  0.00    +0.127 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.786  -0.604  -0.678  0.00  0.00    +0.060 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -4.283  -0.341  -0.263  0.00  0.00    +0.123 A 
ATOM     19  C   LIG    1       -3.166  -0.156  -1.102  0.00  0.00    -0.004 A 
ATOM     20  C   LIG    1       -3.334   0.472  -2.346  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -4.593   0.906  -2.756  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.694   0.720  -1.927  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.541   0.100  -0.684  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -5.144  -1.240   1.772  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -4.029  -0.951   0.938  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7