REMARK  Name = BDB058872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.498   1.255  -0.140  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -1.180   2.325  -0.692  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.287   2.422  -1.699  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.575   0.968   1.052  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.401  -0.825  -1.385  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.554  -0.059  -0.568  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        0.349   0.461  -1.062  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -0.042   0.194  -2.377  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.787  -0.566  -3.200  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.998  -1.064  -2.710  0.00  0.00    +0.008 A 
BRANCH   5  14
ATOM     11  C   LIG    1        6.104  -2.403   0.128  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        6.086  -1.665  -1.058  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        4.880  -1.153  -1.549  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        3.670  -1.366  -0.868  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1        3.707  -2.110   0.324  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        4.911  -2.625   0.818  0.00  0.00    +0.019 A 
BRANCH  11  18
ATOM     17  N   LIG    1        8.338  -3.355   1.038  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1        7.338  -2.929   0.631  0.00  0.00    +0.099 C 
ENDBRANCH  11  18
ENDBRANCH   5  14
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.354   2.852   0.138  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -2.190   2.690   1.143  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.885   2.234  -0.344  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1       -3.651   1.163  -1.293  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -4.720   3.365  -0.685  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.479   1.526   1.168  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1       -5.460   2.189   1.911  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -5.924   1.619   3.096  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.413   0.394   3.529  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.441  -0.269   2.778  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.973   0.293   1.591  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6