REMARK  Name = BDB016284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.272  -1.535  -0.581  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        2.453  -0.844  -0.199  0.00  0.00    +0.150 A 
ATOM      3  O   LIG    1        2.245   0.455   0.180  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1        3.108   0.955   1.195  0.00  0.00    +0.179 C 
ATOM      5  C   LIG    1        4.371   1.442   0.525  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1        5.355   0.323   0.385  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1        4.962  -0.927   0.032  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1        5.765  -1.542  -0.051  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1        6.561   0.529   0.547  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        2.366   2.114   1.856  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1        3.702  -1.489  -0.253  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1        3.746  -2.838  -0.647  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        2.591  -3.531  -1.003  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        1.364  -2.881  -0.975  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  19
ATOM     15  N   LIG    1       -3.697   1.096  -0.760  0.00  0.00    -0.261 N 
ATOM     16  C   LIG    1       -2.588   0.309  -0.529  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -1.623   0.767  -1.424  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.351   0.166  -1.446  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -0.057  -0.890  -0.565  0.00  0.00    -0.014 A 
ATOM     20  C   LIG    1       -1.052  -1.327   0.323  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -2.253   1.811  -2.129  0.00  0.00    +0.143 A 
ATOM     22  C   LIG    1       -2.326  -0.743   0.360  0.00  0.00    +0.028 A 
ATOM     23  N   LIG    1       -3.510   2.015  -1.735  0.00  0.00    -0.178 NA
BRANCH  15  25
ATOM     24  C   LIG    1       -4.910   1.403   1.385  0.00  0.00    +0.032 C 
ATOM     25  C   LIG    1       -4.999   1.057  -0.101  0.00  0.00    +0.102 C 
ATOM     26  C   LIG    1       -5.733  -0.262  -0.341  0.00  0.00    +0.032 C 
ENDBRANCH  15  25
ENDBRANCH   1  19
TORSDOF 2