REMARK  Name = BDB037924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.470   0.689  -0.107  0.00  0.00    +0.107 A 
ATOM      2  C   LIG    1       -0.802  -0.250  -0.895  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -1.336  -1.540  -0.546  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.205  -1.361   0.527  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -2.887  -2.418   1.141  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -2.684  -3.703   0.631  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.831  -3.918  -0.448  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.153  -2.849  -1.044  0.00  0.00    +0.010 A 
ATOM      9  N   LIG    1       -2.217  -0.020   0.808  0.00  0.00    -0.350 N 
ATOM     10  H   LIG    1       -2.749   0.406   1.553  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -3.867   2.419  -0.273  0.00  0.00    +0.132 C 
ATOM     12  N   LIG    1       -2.557   2.843   0.206  0.00  0.00    -0.302 N 
ATOM     13  C   LIG    1       -1.388   2.139  -0.119  0.00  0.00    +0.263 C 
ATOM     14  O   LIG    1       -0.339   2.733  -0.360  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -2.416   4.271   0.433  0.00  0.00    +0.132 C 
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  C   LIG    1        0.184   0.029  -1.995  0.00  0.00    +0.122 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.611  -0.049  -1.670  0.00  0.00    -0.296 NA
ATOM     18  C   LIG    1        2.064  -1.256  -0.951  0.00  0.00    +0.102 C 
ATOM     19  C   LIG    1        3.093  -0.335  -0.232  0.00  0.00    +0.081 C 
ATOM     20  C   LIG    1        3.439  -0.644   1.254  0.00  0.00    +0.228 C 
ATOM     21  O   LIG    1        2.700  -0.866   2.204  0.00  0.00    -0.275 OA
ATOM     22  N   LIG    1        4.795  -0.639   1.361  0.00  0.00    -0.256 N 
ATOM     23  H   LIG    1        5.272  -0.819   2.230  0.00  0.00    +0.157 HD
ATOM     24  C   LIG    1        5.458  -0.391   0.195  0.00  0.00    +0.220 C 
ATOM     25  O   LIG    1        6.672  -0.357   0.073  0.00  0.00    -0.275 OA
ATOM     26  C   LIG    1        4.455  -0.172  -0.913  0.00  0.00    +0.115 C 
ATOM     27  C   LIG    1        2.042   0.774  -0.519  0.00  0.00    +0.102 C 
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 3