REMARK  Name = BDB016996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.007  -0.891   1.282  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        1.973   0.073   1.240  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        3.056  -0.525   0.628  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        2.761  -1.838   0.315  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        1.526  -2.024   0.723  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.334   0.116   0.348  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        4.484   1.405   0.755  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.664   2.006   0.500  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.718   1.387  -0.145  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        6.546   0.066  -0.553  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.337  -0.585  -0.305  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        7.616  -0.682  -1.251  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        7.552  -1.832  -1.640  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        8.728   0.053  -1.431  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        9.336  -0.560  -1.896  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.308  -0.766   1.875  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.434  -0.558   0.847  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.356   0.698   0.085  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -1.599   1.880   0.906  0.00  0.00    +0.105 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -2.180   0.680  -1.137  0.00  0.00    +0.119 C 
BRANCH  20  24
ATOM     21  C   LIG    1       -6.292  -2.239  -0.799  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -5.661  -0.879  -0.763  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1       -4.279  -0.733  -0.948  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -3.677   0.536  -0.948  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1       -4.489   1.666  -0.779  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.866   1.531  -0.609  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.450   0.265  -0.604  0.00  0.00    +0.003 A 
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8