REMARK  Name = BDB013190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.935   0.121  -0.223  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.091   1.162   0.266  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.259   0.915   0.310  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.817   2.025   0.872  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.112   2.925   1.099  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.835  -0.282  -0.122  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.068  -1.244  -0.558  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.319   2.381   0.717  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.293  -1.007  -0.609  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        4.290  -2.023   0.550  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        4.351  -0.655  -0.031  0.00  0.00    +0.044 A 
ATOM     12  N   LIG    1        5.535  -0.035  -0.359  0.00  0.00    -0.266 N 
ATOM     13  N   LIG    1        5.376   1.233  -0.795  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1        4.056   1.417  -0.768  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1        3.360   0.267  -0.339  0.00  0.00    +0.027 A 
BRANCH  12  16
ATOM     16  C   LIG    1        6.891  -0.559  -0.273  0.00  0.00    +0.171 C 
BRANCH  16  17
ATOM     17  C   LIG    1        7.727   0.227   0.732  0.00  0.00    +0.179 C 
BRANCH  17  18
ATOM     18  O   LIG    1        8.090   1.507   0.219  0.00  0.00    -0.393 OA
ATOM     19  H   LIG    1        7.263   1.906  -0.132  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   1  15
BRANCH   6  20
ATOM     20  N   LIG    1       -2.198  -0.476  -0.073  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.361  -1.472  -0.229  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.057   0.255  -1.006  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.479  -0.199  -0.854  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.213  -0.005   0.314  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.809   0.584   1.614  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.185   0.721   2.266  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.098  -0.208   1.639  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.523  -0.457   0.420  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.163  -1.113  -0.611  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.455  -1.307  -1.796  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.134  -0.852  -1.907  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.484  -1.063  -3.061  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 7