REMARK  Name = BDB053816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.779   0.552  -1.363  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1        1.260   1.004  -2.135  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -1.084   0.991  -2.852  0.00  0.00    +0.141 A 
ATOM      4  C   LIG    1       -0.611   0.489  -1.618  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -1.540  -0.046  -0.711  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -2.914  -0.098  -0.990  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -3.345   0.415  -2.221  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -2.446   0.953  -3.146  0.00  0.00    +0.049 A 
BRANCH   6   9
ATOM      9  N   LIG    1       -3.870  -0.617  -0.101  0.00  0.00    -0.325 N 
ATOM     10  C   LIG    1       -4.749   0.444   0.454  0.00  0.00    +0.133 C 
ATOM     11  C   LIG    1       -5.495  -0.068   1.697  0.00  0.00    +0.178 C 
ATOM     12  O   LIG    1       -4.620  -0.465   2.765  0.00  0.00    -0.377 OA
ATOM     13  C   LIG    1       -3.360  -0.985   2.302  0.00  0.00    +0.178 C 
ATOM     14  C   LIG    1       -3.443  -1.617   0.904  0.00  0.00    +0.133 C 
ENDBRANCH   6   9
BRANCH   3  16
ATOM     15  C   LIG    1       -0.537   1.989  -4.950  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -0.112   1.498  -3.686  0.00  0.00    -0.493 OA
ENDBRANCH   3  16
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1        1.562   0.150  -0.348  0.00  0.00    +0.241 A 
ATOM     18  N   LIG    1        2.881   0.352  -0.332  0.00  0.00    -0.126 NA
ATOM     19  N   LIG    1        3.252  -0.219   0.844  0.00  0.00    -0.181 N 
ATOM     20  C   LIG    1        2.125  -0.714   1.493  0.00  0.00    +0.219 A 
ATOM     21  N   LIG    1        1.072  -0.509   0.743  0.00  0.00    -0.180 NA
BRANCH  19  22
ATOM     22  C   LIG    1        4.614  -0.293   1.266  0.00  0.00    +0.158 A 
ATOM     23  N   LIG    1        4.909  -0.955   2.424  0.00  0.00    -0.236 NA
ATOM     24  C   LIG    1        6.209  -1.008   2.791  0.00  0.00    +0.113 A 
ATOM     25  C   LIG    1        7.240  -0.442   2.062  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        6.925   0.223   0.883  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        5.596   0.302   0.474  0.00  0.00    +0.048 A 
ENDBRANCH  19  22
BRANCH  20  28
ATOM     28  N   LIG    1        2.139  -1.312   2.703  0.00  0.00    -0.327 N 
ATOM     29  H   LIG    1        1.362  -1.923   2.928  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        3.043  -1.620   3.066  0.00  0.00    +0.145 HD
ENDBRANCH  20  28
ENDBRANCH   1  17
TORSDOF 6