REMARK  Name = BDB002605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.111  -0.136   1.552  0.00  0.00    +0.150 C 
ATOM      2  S   LIG    1        1.239  -0.118   3.220  0.00  0.00    -0.017 S 
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1       -0.131  -0.331   1.019  0.00  0.00    -0.321 N 
ATOM      4  H   LIG    1       -0.861  -0.465   1.711  0.00  0.00    +0.148 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -0.513  -0.400  -0.374  0.00  0.00    +0.138 C 
BRANCH   5   9
ATOM      6  C   LIG    1       -4.785  -0.946  -0.736  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -3.923  -2.045  -0.759  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -2.541  -1.875  -0.646  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -1.996  -0.592  -0.522  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1       -2.863   0.508  -0.493  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -4.247   0.333  -0.605  0.00  0.00    +0.046 A 
BRANCH   6  12
ATOM     12  O   LIG    1       -6.107  -1.264  -0.859  0.00  0.00    -0.489 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -8.344  -0.941  -0.133  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1       -7.093  -0.244  -0.664  0.00  0.00    +0.167 C 
ATOM     15  C   LIG    1       -7.402   0.439  -1.993  0.00  0.00    +0.051 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   5   9
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  N   LIG    1        2.143   0.030   0.656  0.00  0.00    -0.218 N 
ATOM     17  H   LIG    1        1.961  -0.005  -0.336  0.00  0.00    +0.176 HD
BRANCH  16  18
ATOM     18  N   LIG    1        3.425   0.233   1.075  0.00  0.00    -0.188 NA
ATOM     19  C   LIG    1        4.310   0.369   0.141  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.734   0.593   0.461  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1        6.649   0.734  -0.589  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        8.002   0.948  -0.307  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        8.432   1.018   1.027  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1        7.517   0.877   2.079  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        6.165   0.664   1.791  0.00  0.00    +0.012 A 
BRANCH  23  26
ATOM     26  N   LIG    1        9.853   1.243   1.322  0.00  0.00    +0.056 N 
ATOM     27  O   LIG    1       10.194   1.300   2.512  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1       10.627   1.362   0.362  0.00  0.00    -0.126 OA
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 9