REMARK  Name = BDB017125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.735  -0.847   0.228  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -2.863  -1.250   0.947  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -4.098  -0.604   0.795  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -4.223   0.496  -0.092  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1       -5.506   1.081  -0.219  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -6.606   0.614   0.507  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -6.458  -0.454   1.379  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.066   0.937  -0.795  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1       -5.212  -1.059   1.520  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -1.846   0.240  -0.640  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -0.402  -2.422   1.354  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1       -0.459  -1.604   0.435  0.00  0.00    +0.167 C 
BRANCH  12  13
ATOM     13  C   LIG    1        0.740  -1.337  -0.468  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1        1.593  -0.216   0.143  0.00  0.00    +0.095 C 
ATOM     15  N   LIG    1        2.765   0.054  -0.698  0.00  0.00    -0.301 NA
ATOM     16  C   LIG    1        3.623  -1.127  -0.835  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1        2.846  -2.293  -1.450  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1        1.587  -2.606  -0.647  0.00  0.00    +0.014 C 
BRANCH  15  19
ATOM     19  C   LIG    1        3.503   1.258  -0.302  0.00  0.00    +0.088 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.169   1.190   1.041  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1        5.275   2.164   1.370  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        5.591   0.707   1.190  0.00  0.00    +0.005 C 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  23
ATOM     23  C   LIG    1       -3.097   2.100  -1.764  0.00  0.00    +0.191 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -1.892   2.859  -1.692  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1       -1.772   3.101  -0.757  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6