REMARK  Name = BDB034859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.128  -2.629  -2.397  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.145  -1.646  -1.665  0.00  0.00    +0.270 C 
ENDROOT
BRANCH   2   3
ATOM      3  N   LIG    1        0.123  -0.746  -1.564  0.00  0.00    -0.155 NA
ATOM      4  C   LIG    1       -0.879  -1.045  -0.806  0.00  0.00    +0.150 C 
ATOM      5  N   LIG    1       -1.992  -0.262  -0.629  0.00  0.00    -0.308 N 
ATOM      6  C   LIG    1       -3.059  -0.818   0.200  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1       -3.856   0.294   0.894  0.00  0.00    +0.023 C 
ATOM      8  C   LIG    1       -2.984   1.505   1.226  0.00  0.00    +0.003 C 
ATOM      9  C   LIG    1       -2.264   2.065  -0.009  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -2.372  -1.769   1.182  0.00  0.00    +0.099 C 
ATOM     11  C   LIG    1       -2.166   1.068  -1.166  0.00  0.00    +0.107 C 
ATOM     12  S   LIG    1       -1.009  -2.486   0.213  0.00  0.00    -0.091 S 
ENDBRANCH   2   3
BRANCH   2  13
ATOM     13  C   LIG    1        2.332  -1.315  -0.834  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        2.643  -0.113  -0.062  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        3.866  -0.295   0.588  0.00  0.00    +0.053 A 
ATOM     16  N   LIG    1        4.473   0.601   1.390  0.00  0.00    -0.259 NA
ATOM     17  C   LIG    1        3.805   1.766   1.542  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        2.584   2.055   0.932  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.426  -1.650   0.247  0.00  0.00    +0.084 C 
ATOM     20  C   LIG    1        1.992   1.094   0.108  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        3.351  -2.182  -0.662  0.00  0.00    -0.007 C 
ENDBRANCH   2  13
TORSDOF 2