REMARK  Name = BDB050076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.430  -0.087   1.329  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.535  -0.020   0.312  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.891  -0.248   0.596  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        2.260  -0.546   1.915  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        1.305  -0.597   2.933  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.037  -0.362   2.642  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.881  -0.189  -0.482  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1        4.144   0.373  -0.397  0.00  0.00    -0.211 N 
ATOM      9  C   LIG    1        4.736   0.234  -1.645  0.00  0.00    +0.155 A 
ATOM     10  C   LIG    1        6.043   0.744  -1.808  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        6.646   1.339  -0.773  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1        5.889   1.423   0.503  0.00  0.00    +0.150 A 
ATOM     13 CL   LIG    1        6.635   2.182   1.863  0.00  0.00    -0.060 Cl
ATOM     14  N   LIG    1        3.943  -0.370  -2.499  0.00  0.00    -0.234 NA
ATOM     15  N   LIG    1        4.694   0.968   0.705  0.00  0.00    -0.153 NA
ATOM     16  C   LIG    1        2.798  -0.629  -1.793  0.00  0.00    +0.141 A 
ENDBRANCH   3   7
BRANCH   1  19
ATOM     17  N   LIG    1       -2.323  -0.162  -0.208  0.00  0.00    -0.306 N 
ATOM     18  H   LIG    1       -1.742  -0.746  -0.793  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -1.873   0.157   1.059  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -2.608   0.579   1.944  0.00  0.00    -0.270 OA
BRANCH  17  21
ATOM     21  CA  LIG    1       -3.743  -0.056  -0.545  0.00  0.00    +0.098 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.313   0.316  -2.544  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -3.892   0.046  -2.073  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
BRANCH  21  24
ATOM     24  C   LIG    1       -4.546  -1.227   0.061  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -5.914  -0.878   0.247  0.00  0.00    -0.393 OA
ATOM     26  H   LIG    1       -5.933  -0.202   0.949  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  21
ENDBRANCH   1  19
TORSDOF 6