REMARK  Name = BDB038848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1        0.082   2.638   0.160  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1       -1.051   1.895   0.075  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1       -0.966   0.545  -0.029  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1        0.306  -0.040  -0.004  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1        0.691  -1.363  -0.025  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1        0.051  -2.145  -0.049  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        2.059  -1.484   0.006  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        2.581  -0.194   0.075  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        3.981  -0.035   0.127  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        4.802  -1.168   0.104  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.249  -2.444   0.035  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.865  -2.628  -0.015  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.475   0.715   0.084  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.367   2.111   0.160  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1       -2.217  -0.205  -0.138  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.279   0.058   0.745  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -4.476  -0.653   0.652  0.00  0.00    +0.042 A 
ATOM     18 CL   LIG    1       -5.755  -0.322   1.755  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.644  -1.631  -0.324  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.611  -1.893  -1.222  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.411  -1.183  -1.131  0.00  0.00    +0.010 A 
ENDBRANCH   3  15
BRANCH   1  23
ATOM     22  O   LIG    1        0.849   4.923   0.325  0.00  0.00    -0.243 OA
ATOM     23  C   LIG    1       -0.067   4.120   0.260  0.00  0.00    +0.355 C 
BRANCH  23  24
ATOM     24  OXT LIG    1       -1.351   4.532   0.278  0.00  0.00    -0.476 OA
ATOM     25  HXT LIG    1       -1.300   5.506   0.343  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 3