REMARK  Name = BDB015043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.168  -0.614   1.623  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        3.271   0.858   0.406  0.00  0.00    -0.014 A 
ATOM      3  C   LIG    1        2.216  -0.028   0.681  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.107   0.363   1.440  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.045   1.663   1.938  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        2.082   2.560   1.677  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        3.184   2.161   0.919  0.00  0.00    +0.009 A 
BRANCH   2  11
ATOM      8  C   LIG    1        6.662  -0.386  -1.935  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1        5.365  -0.544  -2.424  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        4.261  -0.142  -1.665  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        4.430   0.433  -0.396  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        5.740   0.587   0.083  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        6.847   0.183  -0.676  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.988  -0.684  -2.320  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        7.648  -0.821  -2.776  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -1.018  -0.253   2.344  0.00  0.00    +0.261 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.949  -1.475   2.387  0.00  0.00    +0.166 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.259  -2.570   3.012  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1       -0.367  -2.587   2.612  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.424  -1.925   0.987  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.197  -0.912   0.245  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.534  -0.710   0.842  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.445   0.178   0.019  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.199   0.400  -1.346  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.073   1.204  -2.091  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.200   1.762  -1.490  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.460   1.527  -0.142  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.963  -0.174  -1.988  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -6.589   0.737   0.609  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.348  -1.312  -1.164  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8