REMARK  Name = BDB024722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.714   1.655   0.325  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.064   0.482  -0.101  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.853  -0.633  -0.682  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.407  -0.262  -2.070  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -4.089  -1.958  -0.837  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -3.180  -2.194   0.346  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.206  -1.054   0.397  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.843  -1.255   0.699  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.172  -2.428   0.953  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        1.080  -2.091   1.182  0.00  0.00    +0.108 A 
ATOM     11  N   LIG    1        1.243  -0.727   1.077  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        2.176  -3.038   1.508  0.00  0.00    +0.086 C 
ATOM     13  C   LIG    1        0.022  -0.171   0.771  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1       -0.400   1.140   0.550  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -1.757   1.330   0.258  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -2.669   0.266   0.183  0.00  0.00    +0.045 A 
ATOM     17  O   LIG    1       -4.187   2.627   0.856  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -6.780   2.756   0.568  0.00  0.00    +0.282 C 
ATOM     19  O   LIG    1       -6.066   1.600   0.125  0.00  0.00    -0.453 OA
ENDBRANCH   1  19
BRANCH  11  20
ATOM     20  C   LIG    1        2.485   0.007   1.251  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.214   0.208  -0.086  0.00  0.00    +0.106 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.480   0.944   0.069  0.00  0.00    -0.296 NA
ATOM     23  C   LIG    1        5.569   0.123   0.645  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        6.603  -0.352  -0.390  0.00  0.00    +0.175 C 
ATOM     25  O   LIG    1        7.237   0.726  -1.089  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1        6.396   1.880  -1.228  0.00  0.00    +0.175 C 
ATOM     27  C   LIG    1        4.902   1.528  -1.225  0.00  0.00    +0.112 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  11  20
TORSDOF 4