REMARK  Name = BDB056831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.694  -1.868   1.211  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -0.748  -2.280   2.175  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -0.984  -1.976   3.528  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.116  -1.259   3.914  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -3.033  -0.845   2.957  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.824  -1.149   1.610  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.400  -2.207  -0.083  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -2.394  -2.049  -1.093  0.00  0.00    +0.229 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.336  -0.670  -1.754  0.00  0.00    +0.041 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -0.950  -0.349  -2.332  0.00  0.00    +0.007 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -1.697   0.804  -4.467  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1       -0.882   0.945  -3.176  0.00  0.00    -0.003 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.318   2.176  -2.364  0.00  0.00    +0.123 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.963   3.487  -3.018  0.00  0.00    +0.305 C 
ATOM     15  O   LIG    1       -0.304   3.672  -4.026  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -1.478   4.535  -2.342  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1       -1.176   5.312  -2.857  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1        0.459  -3.088   1.732  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.564  -3.150   2.695  0.00  0.00    -0.296 N 
ATOM     20  C   LIG    1        2.452  -2.103   2.933  0.00  0.00    +0.247 C 
ATOM     21  O   LIG    1        3.289  -2.100   3.831  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1        1.663  -4.353   3.504  0.00  0.00    +0.132 C 
BRANCH  20  23
ATOM     23  C   LIG    1        2.388  -0.910   2.066  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        1.867   0.279   2.577  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        1.827   1.419   1.768  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        2.315   1.386   0.451  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        2.849   0.180  -0.036  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        2.896  -0.962   0.768  0.00  0.00    +0.014 A 
BRANCH  26  29
ATOM     29  C   LIG    1        2.287   2.586  -0.380  0.00  0.00    +0.135 A 
ATOM     30  O   LIG    1        2.561   2.409  -1.709  0.00  0.00    -0.463 OA
ATOM     31  C   LIG    1        2.503   3.628  -2.303  0.00  0.00    +0.196 A 
ATOM     32  C   LIG    1        2.187   4.596  -1.381  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        2.039   3.925  -0.142  0.00  0.00    +0.050 A 
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 12