REMARK  Name = BDB065036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.842  -0.843  -2.245  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1       -0.062  -0.284  -1.250  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1       -0.546  -0.176  -0.361  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.516  -1.080  -3.402  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -5.429  -2.638  -2.981  0.00  0.00    +0.066 C 
ATOM      6  C   LIG    1       -4.364  -2.017  -2.129  0.00  0.00    +0.042 A 
ATOM      7  N   LIG    1       -4.678  -1.739  -0.846  0.00  0.00    -0.237 NA
ATOM      8  C   LIG    1       -3.739  -1.180  -0.055  0.00  0.00    +0.133 A 
ATOM      9  N   LIG    1       -2.503  -0.874  -0.486  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -2.230  -1.171  -1.781  0.00  0.00    +0.129 A 
ATOM     11  C   LIG    1       -3.125  -1.743  -2.654  0.00  0.00    +0.056 A 
BRANCH   8  12
ATOM     12  C   LIG    1       -4.099  -0.876   1.378  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1       -4.508  -1.998   2.306  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -3.191  -1.310   2.507  0.00  0.00    +0.012 C 
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  15
ATOM     15  C   LIG    1        1.283   0.117  -1.318  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        1.849   0.665  -0.157  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        3.193   1.089  -0.119  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1        3.963   0.941  -1.280  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        3.408   0.397  -2.438  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.073  -0.012  -2.457  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        3.782   1.681   1.155  0.00  0.00    +0.153 C 
ATOM     22  O   LIG    1        5.116   2.196   0.938  0.00  0.00    -0.438 OA
ATOM     23  C   LIG    1        5.246   3.380   1.601  0.00  0.00    +0.401 C 
ATOM     24  O   LIG    1        6.271   4.037   1.661  0.00  0.00    -0.226 OA
ATOM     25  N   LIG    1        4.051   3.742   2.159  0.00  0.00    -0.277 N 
ATOM     26  H   LIG    1        3.945   4.706   2.445  0.00  0.00    +0.152 HD
ATOM     27  C   LIG    1        3.018   2.922   1.622  0.00  0.00    +0.160 C 
ATOM     28  C   LIG    1        3.882   0.613   2.254  0.00  0.00    +0.063 C 
ENDBRANCH  17  21
ENDBRANCH   2  15
TORSDOF 4