REMARK  Name = BDB065405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.091  -0.278  -0.948  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1       -3.228   0.615  -1.532  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -3.538   1.545  -2.264  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -1.823   0.292  -1.154  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -0.805   1.020  -1.633  0.00  0.00    +0.035 C 
ATOM      6  S   LIG    1       -1.799  -1.093  -0.136  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1       -3.543  -1.268  -0.182  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1       -4.128  -2.171   0.395  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        0.573   0.799  -1.347  0.00  0.00    +0.017 A 
ATOM     10  S   LIG    1        1.719   0.986  -2.618  0.00  0.00    -0.052 S 
ATOM     11  C   LIG    1        3.052   0.593  -1.616  0.00  0.00    +0.167 A 
ATOM     12  C   LIG    1        2.633   0.370  -0.319  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        1.221   0.487  -0.165  0.00  0.00    +0.019 A 
BRANCH  11  14
ATOM     14  O   LIG    1        4.276   0.580  -2.164  0.00  0.00    -0.449 OA
BRANCH  14  15
ATOM     15  C   LIG    1        5.343   0.077  -1.462  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1        5.422  -1.280  -1.143  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1        6.532  -1.778  -0.442  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        7.579  -0.894  -0.082  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        8.687  -1.395   0.620  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        8.762  -2.747   0.965  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.735  -3.615   0.608  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        7.489   0.463  -0.437  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        6.626  -3.134  -0.092  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        6.379   0.946  -1.131  0.00  0.00    +0.047 A 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   5   9
BRANCH   1  25
ATOM     25  C   LIG    1       -5.524  -0.168  -1.115  0.00  0.00    +0.152 C 
BRANCH  25  30
ATOM     26  C   LIG    1       -7.852   3.044   3.158  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -7.236   2.218   2.068  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1       -6.770   2.827   0.897  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -6.223   2.057  -0.133  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -6.147   0.662  -0.016  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1       -6.619   0.054   1.155  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -7.165   0.826   2.184  0.00  0.00    +0.003 A 
ENDBRANCH  25  30
ENDBRANCH   1  25
TORSDOF 5