REMARK  Name = BDB051913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.299  -1.421  -0.352  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -1.418  -0.599  -0.149  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -2.727  -1.109  -0.185  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1       -2.899  -2.477  -0.428  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -1.791  -3.312  -0.627  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -0.494  -2.782  -0.587  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.884  -0.239   0.026  0.00  0.00    +0.136 A 
ATOM      8  O   LIG    1       -3.612   1.079   0.275  0.00  0.00    -0.455 OA
ATOM      9  C   LIG    1       -4.801   1.718   0.443  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -5.853   0.823   0.304  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -7.167   1.303   0.445  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -7.359   2.665   0.719  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.272   3.534   0.851  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -4.958   3.075   0.714  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -5.253  -0.436   0.036  0.00  0.00    +0.058 A 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     16  C   LIG    1        2.200  -1.366  -0.538  0.00  0.00    +0.250 C 
ATOM     17  N   LIG    1        0.965  -0.802  -0.286  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        0.965   0.194  -0.107  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        2.400  -2.498  -0.961  0.00  0.00    -0.270 OA
BRANCH  16  28
ATOM     20  C   LIG    1        7.059  -0.138  -2.328  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1        6.625   0.780  -1.224  0.00  0.00    +0.229 C 
ATOM     22  N   LIG    1        5.350   0.512  -0.672  0.00  0.00    -0.287 N 
ATOM     23  C   LIG    1        4.733   1.208   0.375  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        3.489   0.610   0.625  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        2.705   1.105   1.695  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        3.149   2.192   2.451  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.368   2.790   2.168  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        3.319  -0.444  -0.325  0.00  0.00    +0.063 A 
ATOM     29  C   LIG    1        5.177   2.308   1.137  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        4.485  -0.492  -1.065  0.00  0.00    +0.108 A 
ATOM     31  O   LIG    1        7.305   1.711  -0.808  0.00  0.00    -0.273 OA
ENDBRANCH  16  28
ENDBRANCH   1  17
BRANCH   5  32
ATOM     32  C   LIG    1       -1.949  -4.766  -0.878  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -1.051  -5.570  -1.039  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -3.237  -5.150  -0.916  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -3.182  -6.114  -1.088  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH   5  32
TORSDOF 5