REMARK  Name = BDB062319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.686   1.505   0.424  0.00  0.00    +0.060 C 
ATOM      2  C   LIG    1       -5.035   0.414  -0.435  0.00  0.00    +0.123 C 
ATOM      3  O   LIG    1       -3.681   0.848  -0.685  0.00  0.00    -0.482 OA
ATOM      4  C   LIG    1       -2.646   0.051  -0.289  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -2.809  -1.178   0.350  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -1.681  -1.922   0.710  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -0.396  -1.435   0.433  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1        0.786  -2.258   0.808  0.00  0.00    +0.164 C 
ATOM      9  O   LIG    1        0.633  -3.350   1.349  0.00  0.00    -0.292 OA
ATOM     10  C   LIG    1        2.160  -1.740   0.447  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        2.198  -0.211   0.448  0.00  0.00    +0.031 C 
ATOM     12  C   LIG    1        1.142   0.344  -0.520  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -0.227  -0.193  -0.196  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1       -4.145  -1.675   0.632  0.00  0.00    +0.011 C 
ATOM     15  C   LIG    1       -1.365   0.538  -0.565  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1       -5.182  -0.921   0.260  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1       -5.727   0.351  -1.802  0.00  0.00    +0.060 C 
ENDROOT
BRANCH  11  18
ATOM     18  C   LIG    1        3.585   0.323   0.135  0.00  0.00    -0.040 A 
ATOM     19  C   LIG    1        4.221   0.051  -1.088  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1        5.493   0.553  -1.334  0.00  0.00    +0.158 A 
ATOM     21  C   LIG    1        6.134   1.353  -0.395  0.00  0.00    +0.158 A 
ATOM     22  C   LIG    1        5.535   1.619   0.825  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        4.262   1.105   1.090  0.00  0.00    +0.008 A 
BRANCH  20  24
ATOM     24  O   LIG    1        6.116   0.222  -2.502  0.00  0.00    -0.503 OA
ATOM     25  H   LIG    1        7.054   0.084  -2.274  0.00  0.00    +0.292 HD
ENDBRANCH  20  24
BRANCH  21  26
ATOM     26  O   LIG    1        7.348   1.912  -0.672  0.00  0.00    -0.503 OA
ATOM     27  H   LIG    1        7.327   2.143  -1.619  0.00  0.00    +0.292 HD
ENDBRANCH  21  26
ENDBRANCH  11  18
TORSDOF 3