REMARK  Name = BDB025572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.634  -1.188   0.951  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -1.474  -0.155   1.322  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.917   1.001   0.538  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -3.211   1.407   1.234  0.00  0.00    +0.064 C 
ATOM      5  C   LIG    1       -2.932   1.124   2.715  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.908  -0.019   2.708  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -0.208  -1.970   1.804  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.914   2.173   0.622  0.00  0.00    +0.231 C 
ATOM      9  O   LIG    1       -0.294   2.474   1.637  0.00  0.00    -0.274 OA
ATOM     10  N   LIG    1       -0.794   2.927  -0.511  0.00  0.00    -0.328 N 
ATOM     11  H   LIG    1       -0.056   3.619  -0.443  0.00  0.00    +0.145 HD
ATOM     12  H   LIG    1       -0.741   2.413  -1.391  0.00  0.00    +0.145 HD
ENDBRANCH   3   8
BRANCH   5  13
ATOM     13  O   LIG    1       -4.141   0.773   3.377  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -4.461  -0.069   3.010  0.00  0.00    +0.210 HD
ENDBRANCH   5  13
BRANCH   1  15
ATOM     15  C   LIG    1       -0.286  -1.355  -0.540  0.00  0.00    +0.200 C 
BRANCH  15  16
ATOM     16  N   LIG    1        0.642  -0.311  -0.948  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        0.340   0.469  -2.012  0.00  0.00    -0.065 NA
ATOM     18  N   LIG    1        1.305   1.370  -2.134  0.00  0.00    -0.134 NA
ATOM     19  C   LIG    1        2.198   1.163  -1.124  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1        1.797   0.101  -0.353  0.00  0.00    +0.134 A 
BRANCH  19  21
ATOM     21  C   LIG    1        3.454   2.021  -0.871  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        3.381   3.512  -1.076  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1        3.467   2.953   0.314  0.00  0.00    +0.010 C 
ENDBRANCH  19  21
ENDBRANCH  15  16
BRANCH  15  25
ATOM     24  C   LIG    1        1.504  -3.254  -0.408  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        0.153  -2.797  -0.990  0.00  0.00    -0.007 C 
ATOM     26  C   LIG    1        0.271  -2.843  -2.534  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -0.932  -3.824  -0.594  0.00  0.00    +0.013 C 
ENDBRANCH  15  25
ENDBRANCH   1  15
TORSDOF 6