REMARK  Name = BDB051043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.997  -0.451   0.047  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -0.994   0.504  -0.206  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -1.186   1.943   0.211  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        0.197   0.101  -0.859  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        0.381  -1.227  -1.328  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.643  -2.142  -1.085  0.00  0.00    +0.022 A 
ATOM      7  S   LIG    1       -0.261  -3.706  -1.702  0.00  0.00    -0.097 S 
ATOM      8  C   LIG    1        1.252  -3.188  -2.287  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        1.475  -1.858  -2.022  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -1.817  -1.772  -0.402  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.313   1.051  -1.069  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1        1.896   1.509   0.089  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        1.622   1.100   0.976  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        1.684   1.338  -2.199  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1        3.119   2.279   0.082  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.288   1.346   0.204  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        4.493   0.784   1.581  0.00  0.00    +0.254 A 
ATOM     18  O   LIG    1        3.730   1.040   2.509  0.00  0.00    -0.268 OA
ATOM     19  N   LIG    1        5.572  -0.045   1.755  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        5.689  -0.414   2.690  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        6.446  -0.401   0.759  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        7.559  -1.332   1.127  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1        6.260   0.089  -0.475  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        5.158   0.995  -0.770  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1        5.098   1.452  -2.202  0.00  0.00    +0.044 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   4  11
BRANCH   1  26
ATOM     26  N   LIG    1       -3.160  -0.074   0.761  0.00  0.00    -0.327 N 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.473  -0.508   0.202  0.00  0.00    +0.078 C 
ATOM     28  C   LIG    1       -5.647   0.124   0.961  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1       -6.984  -0.331   0.381  0.00  0.00    +0.161 C 
ATOM     30  O   LIG    1       -6.902  -0.718  -0.990  0.00  0.00    -0.380 OA
ATOM     31  C   LIG    1       -6.027   0.124  -1.728  0.00  0.00    +0.161 C 
ATOM     32  C   LIG    1       -4.588  -0.110  -1.288  0.00  0.00    +0.050 C 
ENDBRANCH  26  27
BRANCH  26  34
ATOM     33  C   LIG    1       -3.097  -1.558   2.795  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1       -2.945  -0.155   2.223  0.00  0.00    +0.102 C 
ENDBRANCH  26  34
ENDBRANCH   1  26
TORSDOF 6