REMARK  Name = BDB015532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.512   0.767  -0.342  0.00  0.00    +0.132 A 
ATOM      2  N   LIG    1       -0.257   1.862  -0.408  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -1.583   1.657  -0.462  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.184   0.464  -0.502  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.382  -0.617  -0.445  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.007  -0.508  -0.345  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.078  -1.931  -0.456  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.537  -2.988  -1.090  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.159  -4.226  -1.133  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -1.488  -5.311  -1.833  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.394  -4.468  -0.533  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -3.967  -5.555  -0.545  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.025  -3.296   0.153  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.362  -3.521   0.783  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.381  -2.119   0.167  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  17
ATOM     16  C   LIG    1        2.935   0.173  -0.243  0.00  0.00    +0.218 C 
ATOM     17  N   LIG    1        1.877   1.056  -0.262  0.00  0.00    -0.270 N 
ATOM     18  H   LIG    1        2.064   2.050  -0.244  0.00  0.00    +0.156 HD
ATOM     19  O   LIG    1        2.847  -1.046  -0.340  0.00  0.00    -0.275 OA
BRANCH  16  20
ATOM     20  C   LIG    1        4.270   0.896  -0.132  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.458  -0.018   0.171  0.00  0.00    +0.009 C 
BRANCH  21  23
ATOM     22  C   LIG    1        4.594  -1.011   2.372  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        5.704  -0.250   1.666  0.00  0.00    -0.003 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH   3  24
ATOM     24  O   LIG    1       -2.440   2.746  -0.568  0.00  0.00    -0.421 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.957   3.947  -0.111  0.00  0.00    +0.167 A 
ATOM     26  C   LIG    1       -1.602   4.142   1.227  0.00  0.00    +0.168 A 
ATOM     27  F   LIG    1       -1.700   3.137   2.110  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -1.154   5.381   1.668  0.00  0.00    +0.080 A 
ATOM     29  C   LIG    1       -1.079   6.429   0.759  0.00  0.00    +0.126 A 
ATOM     30  F   LIG    1       -0.647   7.628   1.172  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -1.451   6.259  -0.573  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -1.902   5.013  -1.011  0.00  0.00    +0.052 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7