REMARK  Name = BDB013629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.865  -1.727  -1.704  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -2.669  -0.093   1.714  0.00  0.00    +0.147 A 
ATOM      3  C   LIG    1       -2.766  -1.255   2.484  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -2.583  -2.531   1.968  0.00  0.00    +0.117 A 
ATOM      5  N   LIG    1       -2.724  -3.459   2.965  0.00  0.00    -0.129 NA
ATOM      6  N   LIG    1       -2.990  -2.814   4.093  0.00  0.00    -0.065 NA
ATOM      7  C   LIG    1       -2.294  -2.695   0.606  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -2.198  -1.556  -0.215  0.00  0.00    -0.034 A 
ATOM      9  N   LIG    1       -3.023  -1.499   3.807  0.00  0.00    -0.243 N 
ATOM     10  C   LIG    1       -3.301  -0.542   4.845  0.00  0.00    +0.175 C 
ATOM     11  C   LIG    1       -2.403  -0.278   0.348  0.00  0.00    +0.052 A 
BRANCH   2  13
ATOM     12  C   LIG    1       -2.263   2.237   1.681  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -2.855   1.113   2.326  0.00  0.00    -0.493 OA
ENDBRANCH   2  13
ENDBRANCH   1   8
BRANCH   1  14
ATOM     14  C   LIG    1       -0.733  -0.783  -2.124  0.00  0.00    -0.039 A 
ATOM     15  C   LIG    1        0.553  -1.011  -1.600  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        1.627  -0.140  -1.855  0.00  0.00    -0.028 A 
ATOM     17  C   LIG    1        1.419   0.978  -2.687  0.00  0.00    -0.046 A 
ATOM     18  C   LIG    1        2.521   1.958  -2.987  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        0.145   1.195  -3.229  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -0.918   0.332  -2.948  0.00  0.00    +0.004 A 
BRANCH  16  21
ATOM     21  C   LIG    1        2.958  -0.399  -1.171  0.00  0.00    +0.144 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.183   0.511  -0.012  0.00  0.00    -0.175 NA
ATOM     23  S   LIG    1        4.798   0.866   0.297  0.00  0.00    +0.034 S 
ATOM     24  O   LIG    1        5.446   1.106  -0.977  0.00  0.00    -0.158 OA
ATOM     25  O   LIG    1        5.321  -0.137   1.199  0.00  0.00    -0.158 OA
ATOM     26  C   LIG    1        4.699   2.441   1.112  0.00  0.00    +0.213 C 
ATOM     27  C   LIG    1        4.293   2.326   2.558  0.00  0.00    +0.184 C 
ATOM     28  O   LIG    1        2.915   1.996   2.706  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1        2.658   0.603   2.526  0.00  0.00    +0.177 C 
ATOM     30  C   LIG    1        2.213   0.264   1.103  0.00  0.00    +0.137 C 
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH   1  14
BRANCH   1  31
ATOM     31  C   LIG    1       -3.144  -1.620  -2.557  0.00  0.00    +0.133 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -4.033  -2.828  -2.377  0.00  0.00    +0.306 C 
ATOM     33  O   LIG    1       -3.628  -3.966  -2.198  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -5.350  -2.546  -2.494  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1       -5.559  -1.607  -2.648  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   1  31
TORSDOF 8