REMARK  Name = BDB051289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.446   1.813  -0.319  0.00  0.00    +0.150 A 
ATOM      2  N   LIG    1        0.822   0.523  -0.440  0.00  0.00    -0.160 NA
ATOM      3  N   LIG    1        2.099   0.495  -0.012  0.00  0.00    -0.215 N 
ATOM      4  C   LIG    1        2.559   1.723   0.386  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        3.839   1.896   0.859  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1        4.175   2.805   1.152  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        4.709   0.826   0.951  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        4.203  -0.511   0.516  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        5.037  -1.631   0.585  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        4.558  -2.880   0.176  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.251  -3.015  -0.300  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.409  -1.904  -0.374  0.00  0.00    +0.028 A 
ATOM     13  O   LIG    1        5.852   0.966   1.372  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        2.893  -0.660   0.036  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1        1.525   2.598   0.203  0.00  0.00    +0.081 A 
ENDROOT
BRANCH   1  17
ATOM     16  N   LIG    1       -1.920   1.574  -1.181  0.00  0.00    -0.298 N 
ATOM     17  C   LIG    1       -0.887   2.375  -0.661  0.00  0.00    +0.267 C 
ATOM     18  O   LIG    1       -1.069   3.584  -0.483  0.00  0.00    -0.268 OA
ATOM     19  C   LIG    1       -3.222   2.207  -1.327  0.00  0.00    +0.132 C 
BRANCH  16  20
ATOM     20  C   LIG    1       -1.911   0.107  -1.254  0.00  0.00    +0.123 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.154  -0.600   0.099  0.00  0.00    +0.102 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.514  -1.182  -0.110  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1       -3.516  -0.431   0.654  0.00  0.00    -0.307 NA
ATOM     24  C   LIG    1       -3.542  -0.859   2.055  0.00  0.00    +0.104 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   1  17
TORSDOF 4