REMARK  Name = BDB053813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.916  -0.199   0.051  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1        2.035  -0.907  -0.115  0.00  0.00    -0.126 NA
ATOM      3  N   LIG    1        3.005   0.032   0.060  0.00  0.00    -0.181 N 
ATOM      4  C   LIG    1        2.412   1.256   0.353  0.00  0.00    +0.219 A 
ATOM      5  N   LIG    1        1.110   1.123   0.323  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.394  -0.261  -0.083  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        5.296   0.758   0.030  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        6.603   0.445  -0.116  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1        7.066  -0.833  -0.377  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        6.136  -1.859  -0.496  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        4.779  -1.575  -0.349  0.00  0.00    +0.048 A 
ENDBRANCH   3   6
BRANCH   4  12
ATOM     12  N   LIG    1        3.090   2.392   0.620  0.00  0.00    -0.327 N 
ATOM     13  H   LIG    1        4.082   2.421   0.374  0.00  0.00    +0.145 HD
ATOM     14  H   LIG    1        2.597   3.269   0.491  0.00  0.00    +0.145 HD
ENDBRANCH   4  12
BRANCH   1  15
ATOM     15  N   LIG    1       -0.308  -0.749  -0.060  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1       -0.288  -1.736  -0.277  0.00  0.00    +0.155 HD
BRANCH  15  20
ATOM     17  C   LIG    1       -4.280   0.668   0.415  0.00  0.00    +0.162 A 
ATOM     18  C   LIG    1       -4.028  -0.644  -0.022  0.00  0.00    +0.163 A 
ATOM     19  C   LIG    1       -2.703  -1.083  -0.165  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -1.611  -0.244   0.123  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -1.887   1.056   0.547  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -3.204   1.510   0.696  0.00  0.00    +0.051 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -5.885   2.345   0.975  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -5.600   1.027   0.532  0.00  0.00    -0.491 OA
ENDBRANCH  17  24
BRANCH  18  25
ATOM     25  O   LIG    1       -5.135  -1.415  -0.283  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -4.926  -2.745  -0.731  0.00  0.00    +0.277 C 
ENDBRANCH  18  25
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 6