REMARK  Name = BDB015129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.113  -1.020   0.517  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.994  -0.206   0.331  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -1.716  -0.641   0.707  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -1.558  -1.906   1.273  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.670  -2.727   1.462  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -3.940  -2.286   1.087  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -5.164   1.493  -0.731  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -5.854   0.532  -0.413  0.00  0.00    +0.268 C 
ATOM      9  N   LIG    1       -5.424  -0.650   0.165  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1       -6.159  -1.329   0.351  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -7.328   0.582  -0.650  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1       -8.037  -0.513  -0.273  0.00  0.00    -0.145 NA
ATOM     13  N   LIG    1       -9.387  -0.534  -0.461  0.00  0.00    -0.157 NA
ATOM     14  C   LIG    1       -9.995   0.536  -1.018  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1       -9.302   1.666  -1.413  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -7.926   1.692  -1.224  0.00  0.00    +0.036 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  O   LIG    1       -0.713   0.259   0.466  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.613  -0.118   0.865  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.544   1.048   0.508  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.556   1.250  -0.912  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        0.619   1.239  -1.187  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.978   0.864   1.058  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.562  -0.483   0.878  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.979  -0.743  -0.516  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.270  -0.071  -0.939  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.226   0.326   0.013  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.430   0.905  -0.408  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.694   1.072  -1.767  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.756   0.667  -2.714  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.927   0.194   1.485  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.551   0.096  -2.303  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.717  -0.709   1.766  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 8