REMARK  Name = BDB002456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.667  -0.730  -0.012  0.00  0.00    -0.214 N 
ATOM      2  C   LIG    1       -0.816   0.367  -0.163  0.00  0.00    +0.168 A 
ATOM      3  C   LIG    1        0.463  -0.147  -0.307  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1        1.525   0.753  -0.475  0.00  0.00    +0.133 A 
ATOM      5  N   LIG    1        1.231   2.074  -0.498  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -0.051   2.456  -0.353  0.00  0.00    +0.225 A 
ATOM      7  C   LIG    1        0.299  -1.538  -0.241  0.00  0.00    +0.148 A 
ATOM      8  N   LIG    1       -1.129   1.680  -0.175  0.00  0.00    -0.216 NA
ATOM      9  N   LIG    1       -0.968  -1.907  -0.057  0.00  0.00    -0.172 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -5.881  -0.900   0.542  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -5.115  -2.065   0.487  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -3.730  -2.002   0.305  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -3.085  -0.762   0.173  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -3.856   0.404   0.229  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.246   0.334   0.412  0.00  0.00    +0.048 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -8.043   0.055   0.783  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -7.220  -1.103   0.724  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   4  18
ATOM     18  N   LIG    1        2.836   0.327  -0.638  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1        3.038  -0.590  -0.243  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.870   1.290  -0.276  0.00  0.00    +0.158 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.197   0.568  -0.094  0.00  0.00    +0.058 A 
ATOM     22  N   LIG    1        5.157  -0.720   0.355  0.00  0.00    -0.258 NA
ATOM     23  C   LIG    1        6.340  -1.345   0.546  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        7.571  -0.750   0.326  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        7.595   0.568  -0.116  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        6.395   1.242  -0.326  0.00  0.00    +0.025 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 5