REMARK  Name = BDB014301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.480  -3.012   0.912  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -0.332  -2.967   0.106  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1        0.605  -4.008   0.216  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        0.405  -5.059   1.112  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -0.728  -5.079   1.921  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.666  -4.051   1.829  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -2.375  -1.975   0.851  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -3.661  -2.410   0.393  0.00  0.00    +0.229 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.548  -1.185   0.168  0.00  0.00    +0.045 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.975  -0.245  -0.898  0.00  0.00    +0.034 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -6.154   0.674  -1.860  0.00  0.00    +0.039 C 
ATOM     12  C   LIG    1       -4.863   0.961  -1.140  0.00  0.00    -0.066 C 
ATOM     13  C   LIG    1       -4.450   2.184  -0.752  0.00  0.00    +0.090 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.153   3.473  -0.852  0.00  0.00    +0.329 C 
ATOM     15  O   LIG    1       -4.598   4.557  -0.824  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -6.488   3.371  -0.896  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -6.793   4.301  -0.914  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -0.074  -1.836  -0.861  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  N   LIG    1        0.901  -0.863  -0.369  0.00  0.00    -0.296 N 
ATOM     20  C   LIG    1        2.212  -0.961  -0.826  0.00  0.00    +0.247 C 
ATOM     21  O   LIG    1        2.619  -1.856  -1.563  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1        0.455   0.021   0.702  0.00  0.00    +0.132 C 
BRANCH  20  23
ATOM     23  C   LIG    1        3.185   0.080  -0.435  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        3.007   1.401  -0.850  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        3.954   2.370  -0.500  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        5.091   2.031   0.252  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        5.258   0.690   0.639  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        4.317  -0.285   0.292  0.00  0.00    +0.014 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.076   3.050   0.609  0.00  0.00    +0.135 A 
ATOM     30  O   LIG    1        7.151   2.626   1.343  0.00  0.00    -0.463 OA
ATOM     31  C   LIG    1        7.942   3.705   1.569  0.00  0.00    +0.196 A 
ATOM     32  C   LIG    1        7.399   4.827   0.994  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        6.196   4.408   0.376  0.00  0.00    +0.050 A 
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 11