REMARK  Name = BDB048714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.050   0.378   0.011  0.00  0.00    +0.258 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.902  -0.838   0.239  0.00  0.00    +0.031 C 
ATOM      3  C   LIG    1       -3.233  -0.864   0.443  0.00  0.00    +0.032 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -3.912  -2.164   0.636  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -4.982  -2.531  -0.194  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -5.635  -3.753  -0.013  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.229  -4.618   1.002  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -4.172  -4.263   1.838  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.518  -3.041   1.658  0.00  0.00    +0.009 A 
ENDBRANCH   3   4
BRANCH   3  10
ATOM     10  C   LIG    1       -4.010   0.333   0.467  0.00  0.00    -0.061 C 
ATOM     11  C   LIG    1       -4.667   1.339   0.490  0.00  0.00    -0.061 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.446   2.537   0.518  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -6.379   2.741   1.537  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -7.138   3.913   1.566  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.966   4.880   0.575  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.036   4.677  -0.445  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.276   3.505  -0.474  0.00  0.00    +0.017 A 
ENDBRANCH  11  12
ENDBRANCH   3  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1       -0.166   0.146  -1.089  0.00  0.00    -0.488 OA
BRANCH  18  22
ATOM     19  C   LIG    1        3.773  -1.160  -0.597  0.00  0.00    -0.044 A 
ATOM     20  C   LIG    1        3.303  -0.632  -1.804  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        1.978  -0.209  -1.919  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        1.103  -0.294  -0.833  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        1.565  -0.826   0.370  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        2.894  -1.251   0.489  0.00  0.00    +0.007 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.214  -1.602  -0.459  0.00  0.00    +0.078 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.156  -0.421  -0.178  0.00  0.00    +0.230 C 
BRANCH  26  27
ATOM     27  C   LIG    1        7.438  -0.960   0.465  0.00  0.00    +0.334 C 
ATOM     28  O   LIG    1        8.567  -0.947   0.003  0.00  0.00    -0.248 OA
BRANCH  27  29
ATOM     29  O   LIG    1        7.231  -1.460   1.704  0.00  0.00    -0.479 OA
ATOM     30  H   LIG    1        8.126  -1.745   1.989  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
BRANCH  26  31
ATOM     31  O   LIG    1        6.404   0.250  -1.420  0.00  0.00    -0.365 OA
BRANCH  31  33
ATOM     32  C   LIG    1        7.157   2.171  -2.614  0.00  0.00    +0.034 C 
ATOM     33  C   LIG    1        6.909   1.572  -1.244  0.00  0.00    +0.157 C 
ENDBRANCH  31  33
ENDBRANCH  26  31
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 12