REMARK  Name = BDB058412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.620   0.884  -0.022  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -3.433  -0.229  -0.841  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1       -2.741  -1.353  -0.363  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1       -2.539  -2.531  -1.270  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -2.067  -3.748  -0.488  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1       -0.999  -3.370   0.554  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -1.510  -2.384   1.468  0.00  0.00    -0.485 OA
ATOM      8  C   LIG    1       -0.710  -4.617   1.408  0.00  0.00    +0.055 C 
ATOM      9  C   LIG    1       -2.212  -1.336   0.935  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1       -2.400  -0.221   1.766  0.00  0.00    -0.005 A 
ATOM     11  C   LIG    1       -1.826  -0.180   3.155  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -3.087   0.895   1.266  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1       -4.261   2.027  -0.416  0.00  0.00    -0.492 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -5.456   1.798  -1.174  0.00  0.00    +0.229 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.570   2.952  -1.922  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -6.225   3.116  -1.236  0.00  0.00    +0.038 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  C   LIG    1        0.311  -2.858  -0.105  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.383  -2.411   0.898  0.00  0.00    +0.031 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.566  -1.790   0.202  0.00  0.00    -0.028 C 
ATOM     20  C   LIG    1        2.771  -0.476  -0.013  0.00  0.00    -0.076 C 
ATOM     21  C   LIG    1        1.774   0.598   0.344  0.00  0.00    +0.039 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.039   0.008  -0.692  0.00  0.00    +0.034 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.921   0.844   0.242  0.00  0.00    +0.032 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.206   1.249  -0.428  0.00  0.00    -0.016 C 
ATOM     25  C   LIG    1        6.530   2.480  -0.860  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1        5.652   3.693  -0.855  0.00  0.00    +0.051 C 
BRANCH  25  27
ATOM     27  C   LIG    1        7.862   2.624  -1.496  0.00  0.00    +0.332 C 
ATOM     28  O   LIG    1        8.242   1.963  -2.446  0.00  0.00    -0.246 OA
BRANCH  27  29
ATOM     29  O   LIG    1        8.605   3.571  -0.889  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        8.196   3.924  -0.078  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 11