REMARK  Name = BDB035978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.842   1.214  -0.086  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.526   0.871  -0.013  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.889   0.621  -1.323  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.174   0.241  -1.730  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1        3.167   0.090  -0.735  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.813   0.349   0.593  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        3.624   0.241   1.834  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        2.713   0.997   2.802  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        1.354   0.933   2.312  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1       -0.196   0.800  -2.123  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        1.519   0.731   0.950  0.00  0.00    +0.139 A 
ATOM     12  N   LIG    1       -1.284   1.169  -1.347  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        4.522  -0.325  -1.108  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.068  -1.535  -0.680  0.00  0.00    +0.119 A 
ATOM     15  N   LIG    1        6.314  -1.972  -0.984  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        7.061  -1.166  -1.767  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        6.622   0.052  -2.255  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.336   0.474  -1.920  0.00  0.00    +0.011 A 
ENDBRANCH   5  13
BRANCH   1  19
ATOM     19  N   LIG    1       -1.614   1.540   1.019  0.00  0.00    -0.196 N 
ATOM     20  H   LIG    1       -1.221   1.382   1.945  0.00  0.00    +0.175 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.281   1.653   1.003  0.00  0.00    +0.081 S 
ATOM     22  O   LIG    1       -3.623   2.738   0.108  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1       -3.691   1.700   2.395  0.00  0.00    -0.150 OA
BRANCH  21  25
ATOM     24  C   LIG    1       -3.316  -1.089   0.906  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -3.833   0.096   0.363  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -4.780   0.021  -0.662  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -5.189  -1.228  -1.149  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -4.633  -2.400  -0.641  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -3.693  -2.332   0.384  0.00  0.00    +0.048 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -2.957  -1.519   3.146  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -2.388  -1.059   1.916  0.00  0.00    -0.493 OA
ENDBRANCH  24  31
BRANCH  26  32
ATOM     32  O   LIG    1       -5.424   1.130  -1.136  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -4.975   1.467  -2.450  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6