REMARK  Name = BDB016977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.282  -0.733   0.696  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -0.722  -1.692   1.519  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.568  -1.451   1.530  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.876  -0.390   0.733  0.00  0.00    -0.334 N 
ATOM      5  C   LIG    1       -0.288   0.092   0.202  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.655   0.540  -0.338  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -3.282   0.528  -0.084  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -2.711  -0.639   0.406  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1       -3.444  -1.757   0.642  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -4.768  -1.716   0.390  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -5.417  -0.602  -0.098  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -6.535   1.832  -1.094  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -5.345   1.741  -0.858  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -4.509   2.774  -1.063  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -5.093   3.487  -1.399  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1        2.208   0.126   0.487  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.831  -0.511  -0.745  0.00  0.00    +0.165 C 
BRANCH  17  18
ATOM     18  N   LIG    1        4.190  -0.052  -0.948  0.00  0.00    -0.270 N 
ATOM     19  N   LIG    1        4.419   1.248  -1.212  0.00  0.00    -0.180 NA
ATOM     20  C   LIG    1        5.747   1.315  -1.339  0.00  0.00    +0.134 A 
ATOM     21  C   LIG    1        6.365   0.066  -1.150  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        5.329  -0.802  -0.896  0.00  0.00    +0.108 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6