REMARK  Name = BDB016988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.148  -0.687   0.213  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        1.394  -0.129   0.306  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.275  -1.187   0.176  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.569  -2.364   0.017  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.300  -2.032   0.053  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.735  -1.106   0.193  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        4.399  -2.156  -0.352  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.747  -2.126  -0.357  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.487  -1.084   0.159  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.796  -0.010   0.715  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.400  -0.015   0.737  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.583   1.111   1.275  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        7.797   1.183   1.304  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.811   2.095   1.769  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.457   2.754   2.102  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.116   0.018   0.275  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.611   0.418  -1.119  0.00  0.00    +0.126 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.757   2.611  -0.852  0.00  0.00    +0.129 C 
ATOM     19  N   LIG    1       -2.881   1.170  -1.064  0.00  0.00    -0.331 N 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.038   0.509  -0.641  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -4.283  -0.832  -0.989  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -5.435  -1.512  -0.574  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -6.388  -0.862   0.199  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.189   0.468   0.544  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -5.034   1.141   0.123  0.00  0.00    +0.023 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7