REMARK  Name = BDB045036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.510  -0.701   0.687  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -1.391   0.252   0.068  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -2.319  -0.330  -0.775  0.00  0.00    -0.004 A 
ATOM      4  S   LIG    1       -2.109  -2.028  -0.843  0.00  0.00    -0.100 S 
ATOM      5  C   LIG    1       -0.844  -1.985   0.300  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1   7
ATOM      6  O   LIG    1        0.762  -1.198   2.590  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        0.557  -0.429   1.653  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1        1.294   0.748   1.481  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1        1.749   1.169   0.153  0.00  0.00    +0.127 C 
ATOM     10  C   LIG    1        3.110   0.536  -0.198  0.00  0.00    +0.127 C 
ATOM     11  N   LIG    1        4.105   0.684   0.877  0.00  0.00    -0.293 N 
ATOM     12  C   LIG    1        5.495   0.645   0.681  0.00  0.00    +0.265 C 
ATOM     13  O   LIG    1        6.279   0.779   1.624  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        3.623   0.417   2.242  0.00  0.00    +0.127 C 
ATOM     15  C   LIG    1        2.266   1.074   2.525  0.00  0.00    +0.127 C 
BRANCH  12  16
ATOM     16  C   LIG    1        6.088   0.455  -0.686  0.00  0.00    +0.126 A 
ATOM     17  N   LIG    1        5.399  -0.283  -1.597  0.00  0.00    -0.250 NA
ATOM     18  C   LIG    1        5.991  -0.482  -2.796  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        7.237   0.018  -3.135  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        7.930   0.763  -2.188  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        7.353   0.981  -0.940  0.00  0.00    +0.033 A 
ENDBRANCH  12  16
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  C   LIG    1       -3.377   0.357  -1.593  0.00  0.00    +0.100 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.757  -0.249  -1.372  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1       -5.491  -0.006  -0.102  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -6.735  -0.618   0.040  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1       -7.489  -0.445   1.208  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -6.994   0.350   2.240  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.754   0.973   2.102  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -7.261  -1.443  -1.059  0.00  0.00    +0.272 A 
ATOM     30  O   LIG    1       -8.349  -2.002  -0.976  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.469  -1.537  -2.175  0.00  0.00    -0.242 N 
ATOM     32  H   LIG    1       -6.811  -2.109  -2.941  0.00  0.00    +0.192 HD
ATOM     33  C   LIG    1       -5.004   0.799   0.934  0.00  0.00    +0.010 A 
ATOM     34  N   LIG    1       -5.246  -0.969  -2.341  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 4