REMARK  Name = BDB016974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.304  -0.077   1.604  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.621   0.822   1.159  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.629   0.060   0.602  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.327  -1.284   0.717  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.166  -1.330   1.330  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.841   0.579  -0.018  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.996   1.929  -0.037  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.115   2.421  -0.610  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.098   1.630  -1.170  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.922   0.247  -1.140  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.777  -0.293  -0.556  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.975  -0.603  -1.739  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.997  -0.200  -2.263  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.699  -1.915  -1.655  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.465  -2.351  -2.083  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.542   0.237   2.284  0.00  0.00    +0.124 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.622   0.834   1.379  0.00  0.00    +0.037 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.106  -0.155   0.309  0.00  0.00    +0.085 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -4.323  -0.405  -1.753  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1       -4.155   0.418  -0.551  0.00  0.00    -0.308 NA
ATOM     21  C   LIG    1       -5.439   0.537   0.142  0.00  0.00    +0.104 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7