REMARK  Name = BDB063078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.185  -3.592   1.082  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1       -4.481  -2.704   0.617  0.00  0.00    +0.329 A 
ATOM      3  N   LIG    1       -4.974  -1.742  -0.218  0.00  0.00    -0.275 N 
ATOM      4  H   LIG    1       -5.943  -1.828  -0.487  0.00  0.00    +0.173 HD
ATOM      5  C   LIG    1       -4.220  -0.810  -0.875  0.00  0.00    +0.262 A 
ATOM      6  O   LIG    1       -4.683  -0.108  -1.766  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -2.801  -0.723  -0.472  0.00  0.00    +0.091 A 
ATOM      8  C   LIG    1       -1.925   0.360  -1.046  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1       -0.455   0.088  -0.711  0.00  0.00    +0.079 A 
ATOM     10  C   LIG    1       -0.096  -0.889   0.132  0.00  0.00    +0.215 A 
ATOM     11  O   LIG    1       -1.012  -1.732   0.748  0.00  0.00    -0.432 OA
ATOM     12  C   LIG    1        1.347  -1.089   0.450  0.00  0.00    +0.302 A 
ATOM     13  O   LIG    1        1.631  -1.970   1.264  0.00  0.00    -0.263 OA
ATOM     14  N   LIG    1        2.263  -0.229  -0.183  0.00  0.00    -0.254 N 
ATOM     15  C   LIG    1        1.857   0.746  -1.112  0.00  0.00    +0.166 A 
ATOM     16  S   LIG    1        2.796   1.743  -2.087  0.00  0.00    -0.012 S 
ATOM     17  N   LIG    1        0.502   0.869  -1.304  0.00  0.00    -0.334 N 
ATOM     18  H   LIG    1        0.216   1.596  -1.958  0.00  0.00    +0.168 HD
ATOM     19  C   LIG    1       -2.335  -1.658   0.365  0.00  0.00    +0.212 A 
ATOM     20  N   LIG    1       -3.146  -2.618   0.885  0.00  0.00    -0.278 N 
ATOM     21  H   LIG    1       -2.754  -3.319   1.504  0.00  0.00    +0.173 HD
ENDROOT
BRANCH  14  22
ATOM     22  C   LIG    1        3.651  -0.390   0.176  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1        4.245  -1.662   0.175  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        5.586  -1.827   0.534  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.349  -0.726   0.909  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.771   0.540   0.934  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.430   0.707   0.575  0.00  0.00    +0.026 A 
ENDBRANCH  14  22
BRANCH   8  28
ATOM     28  C   LIG    1       -2.335   1.762  -0.615  0.00  0.00    +0.003 A 
ATOM     29  S   LIG    1       -2.557   2.990  -1.795  0.00  0.00    -0.101 S 
ATOM     30  C   LIG    1       -2.953   4.152  -0.607  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1       -2.909   3.627   0.665  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1       -2.550   2.249   0.662  0.00  0.00    +0.012 A 
ENDBRANCH   8  28
TORSDOF 2