REMARK  Name = BDB050049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.252  -1.579   0.284  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.100  -1.015   1.236  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.489  -1.104   1.080  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.046  -1.752  -0.031  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1        2.190  -2.323  -0.978  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.804  -2.241  -0.817  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.115  -1.566   0.321  0.00  0.00    -0.486 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.723  -0.624   1.208  0.00  0.00    +0.288 C 
BRANCH   8  13
ATOM      9  C   LIG    1       -5.166   0.175   0.756  0.00  0.00    +0.228 A 
ATOM     10  O   LIG    1       -5.359  -1.165   0.972  0.00  0.00    -0.440 OA
ATOM     11  C   LIG    1       -4.101  -1.666   1.153  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1       -3.983  -3.114   1.385  0.00  0.00    +0.088 C 
ATOM     13  C   LIG    1       -3.207  -0.619   1.057  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -3.899   0.548   0.804  0.00  0.00    -0.210 NA
BRANCH   9  19
ATOM     15  C   LIG    1       -9.834   3.389  -0.424  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -8.624   2.563  -0.097  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1       -8.771   1.219   0.263  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -7.649   0.435   0.549  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1       -6.357   0.977   0.485  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -6.219   2.327   0.129  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -7.338   3.115  -0.163  0.00  0.00    +0.004 A 
ENDBRANCH   9  19
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1        4.544  -1.825  -0.207  0.00  0.00    +0.043 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.085  -0.893  -1.307  0.00  0.00    +0.045 C 
ATOM     24  C   LIG    1        6.566  -1.207  -1.553  0.00  0.00    +0.170 C 
ATOM     25  O   LIG    1        7.273  -0.007  -1.847  0.00  0.00    -0.340 OA
ATOM     26  C   LIG    1        7.276   0.884  -0.738  0.00  0.00    +0.267 C 
ATOM     27  C   LIG    1        7.672   2.267  -1.252  0.00  0.00    +0.087 C 
ATOM     28  O   LIG    1        5.984   0.998  -0.091  0.00  0.00    -0.340 OA
ATOM     29  C   LIG    1        4.934   0.593  -0.971  0.00  0.00    +0.170 C 
BRANCH  26  30
ATOM     30  C   LIG    1        8.290   0.494   0.387  0.00  0.00    +0.365 C 
ATOM     31  O   LIG    1        9.409   0.028   0.218  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        7.774   0.721   1.632  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        6.840   1.022   1.522  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8