REMARK  Name = BDB016986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.048   0.466   1.147  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.966  -0.431   0.973  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.041   0.317   0.536  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.690   1.651   0.457  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.433   1.705   0.837  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.359  -0.205   0.204  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.544  -1.546   0.333  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.762  -2.040   0.028  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.819  -1.263  -0.404  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.611   0.110  -0.530  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.363   0.652  -0.222  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.681   1.024  -0.985  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.585   2.229  -1.124  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        7.834   0.382  -1.249  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        8.438   1.101  -1.534  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.387   0.168   1.613  0.00  0.00    +0.127 C 
BRANCH  16  20
ATOM     17  C   LIG    1       -5.621   1.303   0.030  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -4.911   0.026   0.063  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -3.844   0.009   1.072  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1       -2.429   0.127   0.485  0.00  0.00    +0.023 C 
ATOM     21  C   LIG    1       -2.165  -1.026  -0.501  0.00  0.00    +0.008 C 
ATOM     22  C   LIG    1       -3.428  -1.468  -1.243  0.00  0.00    +0.016 C 
ATOM     23  C   LIG    1       -4.472  -0.357  -1.286  0.00  0.00    +0.084 C 
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 5