REMARK  Name = BDB033934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.303   0.053  -0.871  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        0.506   1.136  -2.976  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.423   0.032  -2.150  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1        0.415  -0.860  -2.627  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        0.162   2.264  -2.647  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        1.225   2.023  -5.225  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        1.093   0.801  -4.334  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -1.824  -0.029  -1.146  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -2.620  -0.061  -0.020  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1       -2.202  -0.297   0.873  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -2.290  -0.135  -2.280  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.067  -0.297  -0.090  0.00  0.00    +0.089 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.365  -1.820  -0.243  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -4.018  -2.636   1.008  0.00  0.00    +0.009 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.830  -2.050  -0.677  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -6.117  -3.482  -1.111  0.00  0.00    +0.004 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
BRANCH  12  17
ATOM     17  C   LIG    1       -4.766   0.401   1.105  0.00  0.00    +0.100 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.052   0.246   2.383  0.00  0.00    -0.328 NA
ATOM     19  H   LIG    1       -4.659   0.578   3.134  0.00  0.00    +0.118 HD
ATOM     20  H   LIG    1       -3.260   0.890   2.386  0.00  0.00    +0.118 HD
ENDBRANCH  17  18
ENDBRANCH  12  17
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1        0.071   1.192   0.091  0.00  0.00    +0.094 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.474   1.035   0.590  0.00  0.00    +0.082 A 
ATOM     23  S   LIG    1        2.722   2.084   0.058  0.00  0.00    -0.072 S 
ATOM     24  C   LIG    1        3.852   1.243   1.047  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        3.188   0.220   1.724  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1        3.924  -0.600   2.601  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        5.296  -0.380   2.776  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        5.952   0.645   2.087  0.00  0.00    -0.046 A 
ATOM     29  C   LIG    1        5.228   1.475   1.214  0.00  0.00    +0.020 A 
ATOM     30  N   LIG    1        1.832   0.113   1.458  0.00  0.00    -0.244 NA
BRANCH  28  31
ATOM     31  C   LIG    1        7.427   0.880   2.301  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1        7.684   1.857   3.438  0.00  0.00    +0.009 C 
ENDBRANCH  28  31
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 11