REMARK  Name = BDB002662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.967  -1.744   0.860  0.00  0.00    -0.163 NA
ENDROOT
BRANCH   1   2
ATOM      2  S   LIG    1       -1.205  -2.253  -0.699  0.00  0.00    +0.062 S 
ATOM      3  O   LIG    1        0.094  -2.524  -1.458  0.00  0.00    -0.153 OA
ATOM      4  O   LIG    1       -2.008  -3.553  -0.660  0.00  0.00    -0.153 OA
BRANCH   2   9
ATOM      5  C   LIG    1       -4.590   1.379  -4.109  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -3.712   0.515  -3.297  0.00  0.00    -0.050 A 
ATOM      7  C   LIG    1       -4.274  -0.468  -2.518  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.471  -1.266  -1.762  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -2.091  -1.156  -1.722  0.00  0.00    +0.106 A 
ATOM     10  C   LIG    1       -1.534  -0.172  -2.503  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1       -2.327   0.650  -3.278  0.00  0.00    +0.005 A 
ENDBRANCH   2   9
ENDBRANCH   1   2
BRANCH   1  12
ATOM     12  C   LIG    1       -1.714  -2.146   1.942  0.00  0.00    +0.145 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.743  -1.227   2.493  0.00  0.00    -0.032 A 
ATOM     14  C   LIG    1       -2.418  -0.335   3.529  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.341   0.523   4.086  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.638   0.543   3.643  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.984  -0.327   2.621  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.049  -1.188   2.065  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   1  19
ATOM     19  C   LIG    1       -0.222  -0.558   0.994  0.00  0.00    +0.205 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.095  -0.762   1.761  0.00  0.00    +0.229 C 
ATOM     21  N   LIG    1        1.876   0.341   1.919  0.00  0.00    -0.314 N 
ATOM     22  H   LIG    1        2.800  -0.384   2.645  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1        1.321  -1.924   2.176  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.658   1.446   2.078  0.00  0.00    +0.108 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.103   1.375   1.622  0.00  0.00    +0.049 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.288   1.116   0.192  0.00  0.00    -0.072 C 
ATOM     27  C   LIG    1        3.837  -0.103  -0.478  0.00  0.00    +0.030 C 
ATOM     28  C   LIG    1        4.692  -0.544  -1.644  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        5.697   0.455  -2.101  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1        5.159   1.864  -1.975  0.00  0.00    +0.027 C 
ATOM     31  C   LIG    1        4.941   2.073  -0.510  0.00  0.00    -0.028 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9