REMARK  Name = BDB052536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.944   0.020  -1.440  0.00  0.00    +0.084 A 
ATOM      2  N   LIG    1        1.031  -0.081  -0.451  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1       -0.267   0.005  -0.780  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1       -0.692   0.198  -2.035  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        0.241   0.301  -2.996  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1        1.588   0.220  -2.755  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        5.729  -0.541  -0.774  0.00  0.00    +0.159 A 
ATOM      8  S   LIG    1        4.548  -0.779  -1.997  0.00  0.00    -0.051 S 
ATOM      9  C   LIG    1        3.336  -0.086  -0.990  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1        3.917   0.276   0.219  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        3.248   0.908   1.388  0.00  0.00    +0.067 C 
ATOM     12  N   LIG    1        5.278   0.021   0.320  0.00  0.00    -0.230 NA
BRANCH   7  13
ATOM     13  N   LIG    1        7.008  -0.918  -0.988  0.00  0.00    -0.324 N 
ATOM     14  H   LIG    1        7.284  -1.121  -1.941  0.00  0.00    +0.148 HD
BRANCH  13  16
ATOM     15  C   LIG    1        8.504   0.959  -0.504  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1        8.060  -0.441  -0.111  0.00  0.00    +0.100 C 
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  N   LIG    1       -1.147  -0.121   0.291  0.00  0.00    -0.283 N 
ATOM     18  H   LIG    1       -0.610  -0.293   1.129  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.543  -0.118   0.420  0.00  0.00    +0.041 A 
ATOM     20  C   LIG    1       -3.093  -0.302   1.703  0.00  0.00    +0.073 A 
ATOM     21  C   LIG    1       -4.475  -0.301   1.914  0.00  0.00    +0.167 A 
ATOM     22  C   LIG    1       -5.324  -0.089   0.820  0.00  0.00    +0.204 A 
ATOM     23  C   LIG    1       -4.809   0.077  -0.474  0.00  0.00    +0.167 A 
ATOM     24  C   LIG    1       -3.421   0.072  -0.656  0.00  0.00    +0.073 A 
BRANCH  21  25
ATOM     25  O   LIG    1       -5.082  -0.472   3.132  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -4.269  -0.912   4.211  0.00  0.00    +0.277 C 
ENDBRANCH  21  25
BRANCH  22  27
ATOM     27  O   LIG    1       -6.689  -0.123   1.008  0.00  0.00    -0.488 OA
ATOM     28  C   LIG    1       -7.172   1.194   1.264  0.00  0.00    +0.277 C 
ENDBRANCH  22  27
BRANCH  23  29
ATOM     29  O   LIG    1       -5.729   0.253  -1.476  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.245   0.249  -2.813  0.00  0.00    +0.277 C 
ENDBRANCH  23  29
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 8