REMARK  Name = BDB015013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.249  -0.404  -0.282  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        2.177   0.133   0.449  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.864  -0.202   0.122  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        0.587  -1.098  -0.906  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.637  -1.639  -1.642  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.956  -1.292  -1.333  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        8.153  -2.792   1.075  0.00  0.00    +0.150 C 
ATOM      8  N   LIG    1        8.034  -1.361   0.961  0.00  0.00    -0.333 N 
ATOM      9  C   LIG    1        6.895  -0.665   0.638  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1        7.293   0.668   0.684  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1        6.356   1.672   0.407  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        5.040   1.300   0.095  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        4.641  -0.049   0.047  0.00  0.00    -0.016 A 
ATOM     14  N   LIG    1        8.622   0.776   1.014  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        5.587  -1.057   0.322  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1        9.038  -0.460   1.173  0.00  0.00    +0.200 A 
ENDBRANCH   1  13
BRANCH   3  17
ATOM     17  O   LIG    1       -0.161   0.306   0.871  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.690   1.490   0.246  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.999   1.869   0.951  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.732   2.097   2.345  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -1.194   1.339   2.644  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.089   0.779   0.824  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.517   0.497  -0.559  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.313  -0.745  -0.626  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.801  -0.539  -0.481  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.385   0.508  -1.215  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.766   0.703  -1.187  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.565  -0.138  -0.412  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.987  -1.177   0.323  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.448   1.373  -2.015  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.607  -1.384   0.285  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.197   1.668  -1.166  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7