REMARK  Name = BDB001038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.438  -2.667  -1.934  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1        1.234  -1.560  -2.248  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        1.983  -1.006  -1.223  0.00  0.00    -0.032 A 
ATOM      4  C   LIG    1        2.913   0.180  -1.273  0.00  0.00    +0.073 C 
ATOM      5  C   LIG    1        3.336   0.261   0.167  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        4.219   1.243   0.788  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1        4.460   1.140   2.175  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        5.294   2.054   2.825  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.896   3.077   2.093  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.666   3.185   0.720  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.814   0.040   2.958  0.00  0.00    +0.257 A 
ATOM     12  O   LIG    1        3.966  -0.076   4.168  0.00  0.00    -0.267 OA
ATOM     13  N   LIG    1        3.015  -0.835   2.249  0.00  0.00    -0.321 N 
ATOM     14  H   LIG    1        2.618  -1.598   2.782  0.00  0.00    +0.169 HD
ATOM     15  C   LIG    1        4.831   2.273   0.067  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        2.799  -0.712   0.917  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1        1.952  -1.541   0.080  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        1.194  -2.660   0.380  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        0.431  -3.232  -0.642  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  20
ATOM     20  S   LIG    1       -0.640  -3.352  -3.171  0.00  0.00    +0.058 S 
ATOM     21  O   LIG    1       -0.698  -4.779  -2.971  0.00  0.00    -0.153 OA
ATOM     22  O   LIG    1       -0.349  -2.740  -4.445  0.00  0.00    -0.153 OA
BRANCH  20  23
ATOM     23  N   LIG    1       -2.128  -2.743  -2.631  0.00  0.00    -0.190 NA
ATOM     24  H   LIG    1       -2.834  -3.485  -2.655  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.529  -1.398  -3.054  0.00  0.00    +0.104 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.205  -0.675  -1.884  0.00  0.00    -0.001 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.198  -0.388  -0.766  0.00  0.00    -0.074 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -1.658   0.509   1.475  0.00  0.00    -0.092 C 
ATOM     29  N   LIG    1       -2.726   0.527   0.356  0.00  0.00    +0.381 N 
ATOM     30  C   LIG    1       -2.892   1.998  -0.127  0.00  0.00    -0.047 C 
ATOM     31  C   LIG    1       -4.100   2.687   0.531  0.00  0.00    +0.142 C 
ATOM     32  O   LIG    1       -4.221   2.314   1.902  0.00  0.00    -0.383 OA
ATOM     33  C   LIG    1       -4.576   0.935   2.066  0.00  0.00    +0.142 C 
ATOM     34  C   LIG    1       -4.060   0.018   0.940  0.00  0.00    -0.047 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 6