REMARK  Name = BDB048761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.261   1.762  -0.606  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.377   1.066  -0.231  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -2.587   1.679  -0.563  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -3.822   1.086  -0.248  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -5.087   1.838  -0.579  0.00  0.00    +0.035 C 
ATOM      6  C   LIG    1       -6.352   0.991  -0.479  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -6.326   0.134   0.781  0.00  0.00    +0.009 C 
ATOM      8  C   LIG    1       -5.141  -0.852   0.776  0.00  0.00    +0.030 C 
ATOM      9  C   LIG    1       -3.839  -0.147   0.426  0.00  0.00    -0.040 A 
ATOM     10  C   LIG    1       -2.618  -0.755   0.762  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -1.398  -0.156   0.435  0.00  0.00    +0.046 A 
BRANCH   8  12
ATOM     12  C   LIG    1       -5.360  -2.040  -0.175  0.00  0.00    +0.128 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -6.514  -2.897   0.256  0.00  0.00    +0.305 C 
ATOM     14  O   LIG    1       -7.601  -2.972  -0.289  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.245  -3.621   1.359  0.00  0.00    -0.481 OA
ATOM     16  H   LIG    1       -7.069  -4.130   1.516  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.004   1.194  -0.259  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.098   2.135  -0.758  0.00  0.00    +0.100 C 
BRANCH  18  21
ATOM     19  C   LIG    1        4.370   3.538   1.291  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1        4.357   2.296   0.499  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        3.452   1.691  -0.346  0.00  0.00    +0.086 A 
ATOM     22  N   LIG    1        3.982   0.509  -0.814  0.00  0.00    -0.214 NA
ATOM     23  C   LIG    1        5.173   0.438  -0.249  0.00  0.00    +0.228 A 
ATOM     24  O   LIG    1        5.463   1.498   0.570  0.00  0.00    -0.440 OA
BRANCH  23  25
ATOM     25  C   LIG    1        6.195  -0.599  -0.377  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        7.416  -0.528   0.312  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        8.375  -1.536   0.171  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.125  -2.626  -0.660  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.918  -2.711  -1.351  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.960  -1.704  -1.209  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8