REMARK  Name = BDB064090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.969   1.263   0.292  0.00  0.00    -0.247 N 
ATOM      2  C   LIG    1        1.475   1.022   1.566  0.00  0.00    +0.144 C 
ATOM      3  S   LIG    1        2.248   1.061   3.033  0.00  0.00    -0.018 S 
ATOM      4  N   LIG    1        0.123   0.744   1.446  0.00  0.00    -0.292 N 
ATOM      5  H   LIG    1       -0.524   0.522   2.198  0.00  0.00    +0.154 HD
ATOM      6  C   LIG    1       -0.256   0.801   0.138  0.00  0.00    +0.098 C 
ATOM      7  C   LIG    1       -1.475   0.591  -0.368  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1        0.961   1.154  -0.647  0.00  0.00    +0.266 C 
ATOM      9  O   LIG    1        1.012   1.318  -1.854  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -2.651   0.256   0.381  0.00  0.00    +0.095 A 
ATOM     11  C   LIG    1       -3.939   0.023  -0.192  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -4.766  -0.266   0.889  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -6.127  -0.558   0.758  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -6.659  -0.551  -0.535  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.859  -0.266  -1.641  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -3.957  -0.192   1.988  0.00  0.00    -0.276 N 
ATOM     17  H   LIG    1       -4.220  -0.345   2.955  0.00  0.00    +0.189 HD
ATOM     18  C   LIG    1       -4.497   0.024  -1.486  0.00  0.00    +0.012 A 
ATOM     19  N   LIG    1       -2.679   0.122   1.718  0.00  0.00    -0.173 NA
ENDBRANCH   7  10
BRANCH   1  20
ATOM     20  C   LIG    1        3.343   1.560  -0.097  0.00  0.00    +0.131 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.013   0.398  -0.864  0.00  0.00    +0.103 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.156  -0.814   0.908  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        4.094  -0.863  -0.100  0.00  0.00    -0.307 NA
ATOM     24  C   LIG    1        4.329  -1.991  -1.005  0.00  0.00    +0.104 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 4