REMARK  Name = BDB050065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.303   2.053  -1.585  0.00  0.00    +0.118 A 
ATOM      2  N   LIG    1        1.493   1.258  -0.969  0.00  0.00    -0.158 NA
ATOM      3  N   LIG    1        0.952   0.303  -1.787  0.00  0.00    -0.212 N 
ATOM      4  C   LIG    1        1.192   0.145  -3.145  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        0.502  -0.852  -3.652  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.211  -1.357  -2.596  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1        2.096   1.041  -3.757  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        0.045  -0.675  -1.418  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1        2.670   2.002  -3.022  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -0.504  -0.874  -0.075  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.870  -1.174   0.079  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.407  -1.382   1.366  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -1.561  -1.292   2.470  0.00  0.00    +0.046 A 
ATOM     14  N   LIG    1       -2.326  -1.536   3.588  0.00  0.00    -0.361 N 
ATOM     15  H   LIG    1       -1.972  -1.536   4.535  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1       -3.626  -1.776   3.229  0.00  0.00    +0.083 A 
ATOM     17  C   LIG    1       -0.199  -1.002   2.351  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -3.707  -1.687   1.858  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        0.310  -0.798   1.062  0.00  0.00    +0.012 A 
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  C   LIG    1        2.276   3.254   0.880  0.00  0.00    +0.091 C 
ATOM     21  S   LIG    1        3.105   3.351  -0.723  0.00  0.00    -0.108 S 
ENDBRANCH   1  21
TORSDOF 2