REMARK  Name = BDB016253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.301  -2.721   0.452  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.400  -1.194   0.369  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.122  -0.682  -0.103  0.00  0.00    -0.338 N 
ATOM      4  H   LIG    1       -1.335  -1.248   0.209  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.831   0.691   0.033  0.00  0.00    +0.064 A 
ATOM      6  C   LIG    1       -2.795   1.727   0.074  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -2.370   3.067   0.213  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.023   3.412   0.256  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.066   2.417   0.151  0.00  0.00    +0.019 A 
ATOM     10  N   LIG    1       -4.198   1.594  -0.005  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.741   2.440   0.120  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.016   0.549  -0.280  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.235   0.751  -0.289  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.456   1.078   0.031  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1       -4.472  -0.799  -0.622  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.603   0.110  -0.077  0.00  0.00    -0.064 C 
ATOM     17  C   LIG    1        1.501  -0.684  -0.168  0.00  0.00    -0.092 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.608  -1.642  -0.286  0.00  0.00    +0.124 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.948  -0.992  -0.045  0.00  0.00    -0.036 A 
ATOM     20  C   LIG    1        4.489  -0.931   1.248  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        5.721  -0.315   1.471  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.422   0.252   0.408  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.889   0.207  -0.879  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.657  -0.408  -1.105  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  14  16
TORSDOF 3