REMARK  Name = BDB020503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.527   0.108   1.288  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.868  -0.007   0.833  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        2.922   0.331   1.713  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        4.249   0.233   1.274  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        4.496  -0.189  -0.026  0.00  0.00    +0.107 A 
ATOM      6  N   LIG    1        3.524  -0.517  -0.901  0.00  0.00    -0.251 NA
ATOM      7  C   LIG    1        2.629   0.764   3.016  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        1.311   0.861   3.458  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.248  -0.427  -0.454  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        0.265   0.532   2.600  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.288   0.824  -2.864  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -3.583   0.388  -1.433  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -2.395  -0.129  -0.781  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -1.593   0.636   0.022  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -0.593  -0.221   0.429  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -0.768  -1.466  -0.125  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -1.903   2.060   0.234  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -3.351   2.230   0.253  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -3.857   3.429   0.896  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -1.874  -1.388  -0.835  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -4.178   1.562  -0.650  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -5.347   1.903  -0.848  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -2.456  -2.587  -1.635  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -2.355  -3.969  -1.043  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.688  -3.283  -1.117  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        5.886  -0.315  -0.527  0.00  0.00    +0.168 A 
ATOM     27  N   LIG    1        6.832  -0.831   0.314  0.00  0.00    -0.298 N 
ATOM     28  H   LIG    1        6.663  -1.222   1.225  0.00  0.00    +0.171 HD
ATOM     29  C   LIG    1        8.051  -0.949  -0.257  0.00  0.00    +0.307 A 
ATOM     30  O   LIG    1        9.052  -1.427   0.248  0.00  0.00    -0.258 OA
ATOM     31  S   LIG    1        7.916  -0.290  -1.873  0.00  0.00    +0.075 S 
ATOM     32  N   LIG    1        6.258   0.034  -1.721  0.00  0.00    -0.186 NA
ENDBRANCH   5  26
TORSDOF 3