REMARK  Name = BDB049388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.729   2.085   0.145  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1       -1.921   3.036   0.446  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.852   1.337  -0.156  0.00  0.00    +0.170 A 
ATOM      4  C   LIG    1       -4.149   1.956  -0.033  0.00  0.00    +0.220 A 
ATOM      5  N   LIG    1       -5.292   1.278  -0.308  0.00  0.00    -0.188 N 
ATOM      6  N   LIG    1       -6.349   2.082  -0.113  0.00  0.00    -0.038 NA
ATOM      7  N   LIG    1       -5.828   3.243   0.279  0.00  0.00    -0.022 NA
ATOM      8  C   LIG    1       -5.291  -0.047  -0.720  0.00  0.00    +0.095 A 
ATOM      9  C   LIG    1       -4.014  -0.623  -0.826  0.00  0.00    +0.092 A 
ATOM     10  C   LIG    1       -3.933  -1.952  -1.234  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -5.095  -2.677  -1.525  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -6.354  -2.077  -1.410  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -6.462  -0.749  -1.004  0.00  0.00    +0.030 A 
ATOM     14  N   LIG    1       -4.448   3.182   0.336  0.00  0.00    -0.105 NA
ATOM     15  N   LIG    1       -2.821   0.085  -0.538  0.00  0.00    -0.227 NA
ENDBRANCH   1   3
BRANCH   1  19
ATOM     16  C   LIG    1        2.414   1.264  -0.049  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        1.944   2.454   0.505  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        0.568   2.698   0.552  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -0.362   1.778   0.033  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        0.137   0.600  -0.535  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        1.514   0.345  -0.590  0.00  0.00    +0.015 A 
BRANCH  16  23
ATOM     22  O   LIG    1        4.571   1.915  -0.607  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1        3.873   1.030  -0.119  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1        4.384  -0.184   0.346  0.00  0.00    -0.293 N 
ATOM     25  C   LIG    1        5.836  -0.360   0.260  0.00  0.00    +0.136 C 
ATOM     26  C   LIG    1        6.231  -1.835   0.349  0.00  0.00    +0.179 C 
ATOM     27  O   LIG    1        5.676  -2.453   1.520  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        4.244  -2.377   1.494  0.00  0.00    +0.179 C 
ATOM     29  C   LIG    1        3.767  -0.922   1.457  0.00  0.00    +0.136 C 
ENDBRANCH  16  23
ENDBRANCH   1  19
TORSDOF 3